7-(3-chloro-5-methyl-2H-indazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(1,5-dimethylindazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

C129H160ClF3N30O8 — CID 158658608

IUPAC7-(3-chloro-5-methyl-2H-indazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(1,5-dimethylindazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-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=CC(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)ccc4[nH]ncc24)C3)C[C@@H]1C.C=CC(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)ccc4c2cnn4C)C3)C[C@@H]1C.C=CC(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)ccc4n[nH]c(Cl)c24)C3)C[C@@H]1C.C=CC(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc(C)c2C(F)(F)F)C3)C[C@@H]1C
InChIInChI=1S/C33H42N8O2.C32H39ClN8O2.C32H39F3N6O2.C32H40N8O2/c1-7-30(42)41-22(3)17-40(18-23(41)4)32-25-12-14-39(31-21(2)10-11-29-27(31)16-35-38(29)6)19-28(25)36-33(26(32)15-34)43-20-24-9-8-13-37(24)5;1-6-27(42)41-20(3)15-40(16-21(41)4)30-23-11-13-39(29-19(2)9-10-25-28(29)31(33)37-36-25)17-26(23)35-32(24(30)14-34)43-18-22-8-7-12-38(22)5;1-6-28(42)41-21(3)16-40(17-22(41)4)30-24-12-14-39(27-11-7-9-20(2)29(27)32(33,34)35)18-26(24)37-31(25(30)15-36)43-19-23-10-8-13-38(23)5;1-6-29(41)40-21(3)16-39(17-22(40)4)31-24-11-13-38(30-20(2)9-10-27-26(30)15-34-36-27)18-28(24)35-32(25(31)14-33)42-19-23-8-7-12-37(23)5/h7,10-11,16,22-24H,1,8-9,12-14,17-20H2,2-6H3;6,9-10,20-22H,1,7-8,11-13,15-18H2,2-5H3,(H,36,37);6-7,9,11,21-23H,1,8,10,12-14,16-19H2,2-5H3;6,9-10,15,21-23H,1,7-8,11-13,16-19H2,2-5H3,(H,34,36)/t22-,23+,24-;20-,21+,22-;2*21-,22+,23-/m0000/s1
InChIKeyICLVZNSVFWSEPV-PYTRBVSUSA-N
MW2351.35 g/mol
LogP16.95
Rot. Bonds24

About 7-(3-chloro-5-methyl-2H-indazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(1,5-dimethylindazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-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-(3-chloro-5-methyl-2H-indazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(1,5-dimethylindazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-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 158658608) has the molecular formula C129H160ClF3N30O8 and a molecular weight of 2351.35 g/mol. Its IUPAC name is 7-(3-chloro-5-methyl-2H-indazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(1,5-dimethylindazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-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-(3-chloro-5-methyl-2H-indazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(1,5-dimethylindazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-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 CID158658608
Molecular FormulaC129H160ClF3N30O8
Molecular Weight2351.35 g/mol
Exact Mass2349.27
IUPAC Name7-(3-chloro-5-methyl-2H-indazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(1,5-dimethylindazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-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=CC(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)ccc4[nH]ncc24)C3)C[C@@H]1C.C=CC(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)ccc4c2cnn4C)C3)C[C@@H]1C.C=CC(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)ccc4n[nH]c(Cl)c24)C3)C[C@@H]1C.C=CC(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc(C)c2C(F)(F)F)C3)C[C@@H]1C
InChIInChI=1S/C33H42N8O2.C32H39ClN8O2.C32H39F3N6O2.C32H40N8O2/c1-7-30(42)41-22(3)17-40(18-23(41)4)32-25-12-14-39(31-21(2)10-11-29-27(31)16-35-38(29)6)19-28(25)36-33(26(32)15-34)43-20-24-9-8-13-37(24)5;1-6-27(42)41-20(3)15-40(16-21(41)4)30-23-11-13-39(29-19(2)9-10-25-28(29)31(33)37-36-25)17-26(23)35-32(24(30)14-34)43-18-22-8-7-12-38(22)5;1-6-28(42)41-21(3)16-40(17-22(41)4)30-24-12-14-39(27-11-7-9-20(2)29(27)32(33,34)35)18-26(24)37-31(25(30)15-36)43-19-23-10-8-13-38(23)5;1-6-29(41)40-21(3)16-39(17-22(40)4)31-24-11-13-38(30-20(2)9-10-27-26(30)15-34-36-27)18-28(24)35-32(25(31)14-33)42-19-23-8-7-12-37(23)5/h7,10-11,16,22-24H,1,8-9,12-14,17-20H2,2-6H3;6,9-10,20-22H,1,7-8,11-13,15-18H2,2-5H3,(H,36,37);6-7,9,11,21-23H,1,8,10,12-14,16-19H2,2-5H3;6,9-10,15,21-23H,1,7-8,11-13,16-19H2,2-5H3,(H,34,36)/t22-,23+,24-;20-,21+,22-;2*21-,22+,23-/m0000/s1
InChIKeyICLVZNSVFWSEPV-PYTRBVSUSA-N
XLogP16.95
TPSA378.94 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002351.35
LogP ≤ 516.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 7-(3-chloro-5-methyl-2H-indazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(1,5-dimethylindazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-5-methyl-2H-indazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(1,5-dimethylindazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-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-(3-chloro-5-methyl-2H-indazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(1,5-dimethylindazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-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 158658608) is 7-(3-chloro-5-methyl-2H-indazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(1,5-dimethylindazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-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-(3-chloro-5-methyl-2H-indazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(1,5-dimethylindazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-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-(3-chloro-5-methyl-2H-indazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(1,5-dimethylindazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-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=CC(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)ccc4[nH]ncc24)C3)C[C@@H]1C.C=CC(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)ccc4c2cnn4C)C3)C[C@@H]1C.C=CC(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)ccc4n[nH]c(Cl)c24)C3)C[C@@H]1C.C=CC(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc(C)c2C(F)(F)F)C3)C[C@@H]1C.
What is the InChIKey of 7-(3-chloro-5-methyl-2H-indazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(1,5-dimethylindazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-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 ICLVZNSVFWSEPV-PYTRBVSUSA-N. The full InChI is InChI=1S/C33H42N8O2.C32H39ClN8O2.C32H39F3N6O2.C32H40N8O2/c1-7-30(42)41-22(3)17-40(18-23(41)4)32-25-12-14-39(31-21(2)10-11-29-27(31)16-35-38(29)6)19-28(25)36-33(26(32)15-34)43-20-24-9-8-13-37(24)5;1-6-27(42)41-20(3)15-40(16-21(41)4)30-23-11-13-39(29-19(2)9-10-25-28(29)31(33)37-36-25)17-26(23)35-32(24(30)14-34)43-18-22-8-7-12-38(22)5;1-6-28(42)41-21(3)16-40(17-22(41)4)30-24-12-14-39(27-11-7-9-20(2)29(27)32(33,34)35)18-26(24)37-31(25(30)15-36)43-19-23-10-8-13-38(23)5;1-6-29(41)40-21(3)16-39(17-22(40)4)31-24-11-13-38(30-20(2)9-10-27-26(30)15-34-36-27)18-28(24)35-32(25(31)14-33)42-19-23-8-7-12-37(23)5/h7,10-11,16,22-24H,1,8-9,12-14,17-20H2,2-6H3;6,9-10,20-22H,1,7-8,11-13,15-18H2,2-5H3,(H,36,37);6-7,9,11,21-23H,1,8,10,12-14,16-19H2,2-5H3;6,9-10,15,21-23H,1,7-8,11-13,16-19H2,2-5H3,(H,34,36)/t22-,23+,24-;20-,21+,22-;2*21-,22+,23-/m0000/s1.
What are the key properties of 7-(3-chloro-5-methyl-2H-indazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(1,5-dimethylindazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-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-(3-chloro-5-methyl-2H-indazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(1,5-dimethylindazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-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 2351.35 g/mol, XLogP of 16.95, 24 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-5-methyl-2H-indazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(1,5-dimethylindazol-4-yl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-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 158658608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).