N-[(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-1,6-naphthyridine-2-carboxamide

C26H29FN6O2 — CID 121474048

IUPACN-[(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-1,6-naphthyridine-2-carboxamide
SMILESCc1ccc(C(NC(=O)c2ccc3cnc(N[C@@H](C)C(C)(C)O)cc3n2)c2cnn(C)c2)cc1F
InChIInChI=1S/C26H29FN6O2/c1-15-6-7-17(10-20(15)27)24(19-13-29-33(5)14-19)32-25(34)21-9-8-18-12-28-23(11-22(18)31-21)30-16(2)26(3,4)35/h6-14,16,24,35H,1-5H3,(H,28,30)(H,32,34)/t16-,24?/m0/s1
InChIKeyASSNGBJDPKTDLA-FXIRQEPWSA-N
MW476.56 g/mol
LogP3.90
Rot. Bonds7

About N-[(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-1,6-naphthyridine-2-carboxamide

N-[(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-1,6-naphthyridine-2-carboxamide (PubChem CID 121474048) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-1,6-naphthyridine-2-carboxamide
PubChem CID121474048
Molecular FormulaC26H29FN6O2
Molecular Weight476.56 g/mol
Exact Mass476.23
IUPAC NameN-[(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-1,6-naphthyridine-2-carboxamide
SMILESCc1ccc(C(NC(=O)c2ccc3cnc(N[C@@H](C)C(C)(C)O)cc3n2)c2cnn(C)c2)cc1F
InChIInChI=1S/C26H29FN6O2/c1-15-6-7-17(10-20(15)27)24(19-13-29-33(5)14-19)32-25(34)21-9-8-18-12-28-23(11-22(18)31-21)30-16(2)26(3,4)35/h6-14,16,24,35H,1-5H3,(H,28,30)(H,32,34)/t16-,24?/m0/s1
InChIKeyASSNGBJDPKTDLA-FXIRQEPWSA-N
XLogP3.90
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-1,6-naphthyridine-2-carboxamide with MolForge

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Related Compounds

N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide
CID 121474062
N-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-4-pyridinyl)amino]isoquinoline-6-carboxamide
CID 73335938
3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide
CID 73336036
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-[(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]quinazoline-7-carboxamide
CID 78046397
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]quinazoline-7-carboxamide
CID 71247446
N-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide
CID 123751023
5-fluoro-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-2-(1,1,1-trifluoropropan-2-ylamino)quinazoline-7-carboxamide
CID 71250319
N-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-ylamino)quinazoline-7-carboxamide
CID 71528855
N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-2-[(3-hydroxycyclobutyl)methyl]quinazoline-7-carboxamide
CID 147374846
(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124203
2-amino-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]quinazoline-7-carboxamide
CID 123330814
3-[(R)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide
CID 140635320

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-1,6-naphthyridine-2-carboxamide (CID 121474048) is N-[(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-1,6-naphthyridine-2-carboxamide is Cc1ccc(C(NC(=O)c2ccc3cnc(N[C@@H](C)C(C)(C)O)cc3n2)c2cnn(C)c2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-1,6-naphthyridine-2-carboxamide?
The InChIKey is ASSNGBJDPKTDLA-FXIRQEPWSA-N. The full InChI is InChI=1S/C26H29FN6O2/c1-15-6-7-17(10-20(15)27)24(19-13-29-33(5)14-19)32-25(34)21-9-8-18-12-28-23(11-22(18)31-21)30-16(2)26(3,4)35/h6-14,16,24,35H,1-5H3,(H,28,30)(H,32,34)/t16-,24?/m0/s1.
What are the key properties of N-[(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-1,6-naphthyridine-2-carboxamide?
N-[(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-1,6-naphthyridine-2-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 121474048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).