2-fluoro-1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-2-yl]acetonitrile;1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile

C132H172F2N22O10 — CID 165015755

IUPAC2-fluoro-1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-2-yl]acetonitrile;1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
SMILESC=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CC[C@]2(CCc4c(C)cccc4C2)C3)C[C@@H]1CC#N.C=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CC[C@]2(CCc4c(C)cccc4C2)C3)C[C@@H]1COC.C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CC[C@]2(CCc4c(C)cccc4C2)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CC[C@]2(CCc4c(C)cccc4C2)C3)C[C@@H]1COC
InChIInChI=1S/C33H41FN6O2.C33H44FN5O3.C33H42N6O2.C33H45N5O3/c1-22-6-4-7-24-18-33(12-9-27(22)24)13-10-28-29(19-33)36-32(42-21-26-8-5-15-38(26)3)37-30(28)39-16-17-40(31(41)23(2)34)25(20-39)11-14-35;1-22-7-5-8-24-17-33(12-10-27(22)24)13-11-28-29(18-33)35-32(42-21-25-9-6-14-37(25)3)36-30(28)38-15-16-39(31(40)23(2)34)26(19-38)20-41-4;1-4-30(40)39-18-17-38(21-25(39)12-15-34)31-28-11-14-33(13-10-27-23(2)7-5-8-24(27)19-33)20-29(28)35-32(36-31)41-22-26-9-6-16-37(26)3;1-5-30(39)38-17-16-37(20-26(38)21-40-4)31-28-12-14-33(13-11-27-23(2)8-6-9-24(27)18-33)19-29(28)34-32(35-31)41-22-25-10-7-15-36(25)3/h4,6-7,25-26H,2,5,8-13,15-21H2,1,3H3;5,7-8,25-26H,2,6,9-21H2,1,3-4H3;4-5,7-8,25-26H,1,6,9-14,16-22H2,2-3H3;5-6,8-9,25-26H,1,7,10-22H2,2-4H3/t25-,26-,33-;25-,26+,33-;25-,26-,33-;25-,26+,33-/m0000/s1
InChIKeyKJUIBZKDMLRNMS-ZFINJHJDSA-N
MW2264.97 g/mol
LogP16.22
Rot. Bonds26

About 2-fluoro-1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-2-yl]acetonitrile;1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile

2-fluoro-1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-2-yl]acetonitrile;1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile (PubChem CID 165015755) has the molecular formula C132H172F2N22O10 and a molecular weight of 2264.97 g/mol. Its IUPAC name is 2-fluoro-1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-2-yl]acetonitrile;1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-fluoro-1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-2-yl]acetonitrile;1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
PubChem CID165015755
Molecular FormulaC132H172F2N22O10
Molecular Weight2264.97 g/mol
Exact Mass2263.36
IUPAC Name2-fluoro-1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-2-yl]acetonitrile;1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
SMILESC=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CC[C@]2(CCc4c(C)cccc4C2)C3)C[C@@H]1CC#N.C=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CC[C@]2(CCc4c(C)cccc4C2)C3)C[C@@H]1COC.C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CC[C@]2(CCc4c(C)cccc4C2)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CC[C@]2(CCc4c(C)cccc4C2)C3)C[C@@H]1COC
InChIInChI=1S/C33H41FN6O2.C33H44FN5O3.C33H42N6O2.C33H45N5O3/c1-22-6-4-7-24-18-33(12-9-27(22)24)13-10-28-29(19-33)36-32(42-21-26-8-5-15-38(26)3)37-30(28)39-16-17-40(31(41)23(2)34)25(20-39)11-14-35;1-22-7-5-8-24-17-33(12-10-27(22)24)13-11-28-29(18-33)35-32(42-21-25-9-6-14-37(25)3)36-30(28)38-15-16-39(31(40)23(2)34)26(19-38)20-41-4;1-4-30(40)39-18-17-38(21-25(39)12-15-34)31-28-11-14-33(13-10-27-23(2)7-5-8-24(27)19-33)20-29(28)35-32(36-31)41-22-26-9-6-16-37(26)3;1-5-30(39)38-17-16-37(20-26(38)21-40-4)31-28-12-14-33(13-11-27-23(2)8-6-9-24(27)18-33)19-29(28)34-32(35-31)41-22-25-10-7-15-36(25)3/h4,6-7,25-26H,2,5,8-13,15-21H2,1,3H3;5,7-8,25-26H,2,6,9-21H2,1,3-4H3;4-5,7-8,25-26H,1,6,9-14,16-22H2,2-3H3;5-6,8-9,25-26H,1,7,10-22H2,2-4H3/t25-,26-,33-;25-,26+,33-;25-,26-,33-;25-,26+,33-/m0000/s1
InChIKeyKJUIBZKDMLRNMS-ZFINJHJDSA-N
XLogP16.22
TPSA313.24 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms166
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002264.97
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-fluoro-1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-2-yl]acetonitrile;1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-2-yl]acetonitrile;1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile?
The IUPAC name of 2-fluoro-1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-2-yl]acetonitrile;1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile (CID 165015755) is 2-fluoro-1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-2-yl]acetonitrile;1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile.
What is the SMILES notation for 2-fluoro-1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-2-yl]acetonitrile;1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile?
The canonical SMILES for 2-fluoro-1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-2-yl]acetonitrile;1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile is C=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CC[C@]2(CCc4c(C)cccc4C2)C3)C[C@@H]1CC#N.C=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CC[C@]2(CCc4c(C)cccc4C2)C3)C[C@@H]1COC.C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CC[C@]2(CCc4c(C)cccc4C2)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CC[C@]2(CCc4c(C)cccc4C2)C3)C[C@@H]1COC.
What is the InChIKey of 2-fluoro-1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-2-yl]acetonitrile;1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile?
The InChIKey is KJUIBZKDMLRNMS-ZFINJHJDSA-N. The full InChI is InChI=1S/C33H41FN6O2.C33H44FN5O3.C33H42N6O2.C33H45N5O3/c1-22-6-4-7-24-18-33(12-9-27(22)24)13-10-28-29(19-33)36-32(42-21-26-8-5-15-38(26)3)37-30(28)39-16-17-40(31(41)23(2)34)25(20-39)11-14-35;1-22-7-5-8-24-17-33(12-10-27(22)24)13-11-28-29(18-33)35-32(42-21-25-9-6-14-37(25)3)36-30(28)38-15-16-39(31(40)23(2)34)26(19-38)20-41-4;1-4-30(40)39-18-17-38(21-25(39)12-15-34)31-28-11-14-33(13-10-27-23(2)7-5-8-24(27)19-33)20-29(28)35-32(36-31)41-22-26-9-6-16-37(26)3;1-5-30(39)38-17-16-37(20-26(38)21-40-4)31-28-12-14-33(13-11-27-23(2)8-6-9-24(27)18-33)19-29(28)34-32(35-31)41-22-25-10-7-15-36(25)3/h4,6-7,25-26H,2,5,8-13,15-21H2,1,3H3;5,7-8,25-26H,2,6,9-21H2,1,3-4H3;4-5,7-8,25-26H,1,6,9-14,16-22H2,2-3H3;5-6,8-9,25-26H,1,7,10-22H2,2-4H3/t25-,26-,33-;25-,26+,33-;25-,26-,33-;25-,26+,33-/m0000/s1.
What are the key properties of 2-fluoro-1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-2-yl]acetonitrile;1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile?
2-fluoro-1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-2-yl]acetonitrile;1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile has a molecular weight of 2264.97 g/mol, XLogP of 16.22, 26 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-1-(2-fluoroprop-2-enoyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-2-yl]acetonitrile;1-[(2R)-2-(methoxymethyl)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]piperazin-1-yl]prop-2-en-1-one;2-[(2S)-4-[(3S)-8-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile is sourced from PubChem (CID 165015755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).