7-(7,8-difluoronaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

C128H142F14N24O8 — CID 159198465

IUPAC7-(7,8-difluoronaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
SMILESC=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc(C)c2C(F)(F)F)C3)C[C@@H]1C.C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc(F)c2C(F)(F)F)C3)C[C@@H]1C.C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(F)c(C)c24)C3)C[C@@H]1C.C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(F)c(F)c24)C3)C[C@@H]1C
InChIInChI=1S/C34H38F2N6O2.C33H35F3N6O2.C31H36F4N6O2.C30H33F5N6O2/c1-21-18-41(15-16-42(21)34(43)23(3)35)32-26-12-14-40(30-9-5-7-24-10-11-28(36)22(2)31(24)30)19-29(26)38-33(27(32)17-37)44-20-25-8-6-13-39(25)4;1-20-17-41(14-15-42(20)33(43)21(2)34)31-24-11-13-40(28-8-4-6-22-9-10-26(35)30(36)29(22)28)18-27(24)38-32(25(31)16-37)44-19-23-7-5-12-39(23)3;1-19-7-5-9-26(27(19)31(33,34)35)39-12-10-23-25(17-39)37-29(43-18-22-8-6-11-38(22)4)24(15-36)28(23)40-13-14-41(20(2)16-40)30(42)21(3)32;1-18-15-40(12-13-41(18)29(42)19(2)31)27-21-9-11-39(25-8-4-7-23(32)26(25)30(33,34)35)16-24(21)37-28(22(27)14-36)43-17-20-6-5-10-38(20)3/h5,7,9-11,21,25H,3,6,8,12-16,18-20H2,1-2,4H3;4,6,8-10,20,23H,2,5,7,11-15,17-19H2,1,3H3;5,7,9,20,22H,3,6,8,10-14,16-18H2,1-2,4H3;4,7-8,18,20H,2,5-6,9-13,15-17H2,1,3H3/t21-,25-;20-,23-;20-,22-;18-,20-/m0000/s1
InChIKeyKOYXZOBDFFFAOG-OGONVOLZSA-N
MW2410.68 g/mol
LogP19.55
Rot. Bonds24

About 7-(7,8-difluoronaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

7-(7,8-difluoronaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (PubChem CID 159198465) has the molecular formula C128H142F14N24O8 and a molecular weight of 2410.68 g/mol. Its IUPAC name is 7-(7,8-difluoronaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name7-(7,8-difluoronaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
PubChem CID159198465
Molecular FormulaC128H142F14N24O8
Molecular Weight2410.68 g/mol
Exact Mass2409.12
IUPAC Name7-(7,8-difluoronaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
SMILESC=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc(C)c2C(F)(F)F)C3)C[C@@H]1C.C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc(F)c2C(F)(F)F)C3)C[C@@H]1C.C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(F)c(C)c24)C3)C[C@@H]1C.C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(F)c(F)c24)C3)C[C@@H]1C
InChIInChI=1S/C34H38F2N6O2.C33H35F3N6O2.C31H36F4N6O2.C30H33F5N6O2/c1-21-18-41(15-16-42(21)34(43)23(3)35)32-26-12-14-40(30-9-5-7-24-10-11-28(36)22(2)31(24)30)19-29(26)38-33(27(32)17-37)44-20-25-8-6-13-39(25)4;1-20-17-41(14-15-42(20)33(43)21(2)34)31-24-11-13-40(28-8-4-6-22-9-10-26(35)30(36)29(22)28)18-27(24)38-32(25(31)16-37)44-19-23-7-5-12-39(23)3;1-19-7-5-9-26(27(19)31(33,34)35)39-12-10-23-25(17-39)37-29(43-18-22-8-6-11-38(22)4)24(15-36)28(23)40-13-14-41(20(2)16-40)30(42)21(3)32;1-18-15-40(12-13-41(18)29(42)19(2)31)27-21-9-11-39(25-8-4-7-23(32)26(25)30(33,34)35)16-24(21)37-28(22(27)14-36)43-17-20-6-5-10-38(20)3/h5,7,9-11,21,25H,3,6,8,12-16,18-20H2,1-2,4H3;4,6,8-10,20,23H,2,5,7,11-15,17-19H2,1,3H3;5,7,9,20,22H,3,6,8,10-14,16-18H2,1-2,4H3;4,7-8,18,20H,2,5-6,9-13,15-17H2,1,3H3/t21-,25-;20-,23-;20-,22-;18-,20-/m0000/s1
InChIKeyKOYXZOBDFFFAOG-OGONVOLZSA-N
XLogP19.55
TPSA303.76 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms174
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002410.68
LogP ≤ 519.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 7-(7,8-difluoronaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-(7,8-difluoronaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 7-(7,8-difluoronaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (CID 159198465) is 7-(7,8-difluoronaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 7-(7,8-difluoronaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 7-(7,8-difluoronaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc(C)c2C(F)(F)F)C3)C[C@@H]1C.C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc(F)c2C(F)(F)F)C3)C[C@@H]1C.C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(F)c(C)c24)C3)C[C@@H]1C.C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(F)c(F)c24)C3)C[C@@H]1C.
What is the InChIKey of 7-(7,8-difluoronaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is KOYXZOBDFFFAOG-OGONVOLZSA-N. The full InChI is InChI=1S/C34H38F2N6O2.C33H35F3N6O2.C31H36F4N6O2.C30H33F5N6O2/c1-21-18-41(15-16-42(21)34(43)23(3)35)32-26-12-14-40(30-9-5-7-24-10-11-28(36)22(2)31(24)30)19-29(26)38-33(27(32)17-37)44-20-25-8-6-13-39(25)4;1-20-17-41(14-15-42(20)33(43)21(2)34)31-24-11-13-40(28-8-4-6-22-9-10-26(35)30(36)29(22)28)18-27(24)38-32(25(31)16-37)44-19-23-7-5-12-39(23)3;1-19-7-5-9-26(27(19)31(33,34)35)39-12-10-23-25(17-39)37-29(43-18-22-8-6-11-38(22)4)24(15-36)28(23)40-13-14-41(20(2)16-40)30(42)21(3)32;1-18-15-40(12-13-41(18)29(42)19(2)31)27-21-9-11-39(25-8-4-7-23(32)26(25)30(33,34)35)16-24(21)37-28(22(27)14-36)43-17-20-6-5-10-38(20)3/h5,7,9-11,21,25H,3,6,8,12-16,18-20H2,1-2,4H3;4,6,8-10,20,23H,2,5,7,11-15,17-19H2,1,3H3;5,7,9,20,22H,3,6,8,10-14,16-18H2,1-2,4H3;4,7-8,18,20H,2,5-6,9-13,15-17H2,1,3H3/t21-,25-;20-,23-;20-,22-;18-,20-/m0000/s1.
What are the key properties of 7-(7,8-difluoronaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
7-(7,8-difluoronaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 2410.68 g/mol, XLogP of 19.55, 24 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7,8-difluoronaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 159198465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).