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

C26H26F2N6O2 — CID 121474061

IUPACN-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide
SMILESCc1ccc([C@H](NC(=O)c2ccc3cnc(N[C@H]4CCOC[C@H]4F)cc3n2)c2cnn(C)c2)cc1F
InChIInChI=1S/C26H26F2N6O2/c1-15-3-4-16(9-19(15)27)25(18-12-30-34(2)13-18)33-26(35)22-6-5-17-11-29-24(10-23(17)31-22)32-21-7-8-36-14-20(21)28/h3-6,9-13,20-21,25H,7-8,14H2,1-2H3,(H,29,32)(H,33,35)/t20-,21+,25+/m1/s1
InChIKeyQGKWYYGHYSEDGS-CZSZKKDXSA-N
MW492.53 g/mol
LogP3.87
Rot. Bonds6

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

N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide (PubChem CID 121474061) has the molecular formula C26H26F2N6O2 and a molecular weight of 492.53 g/mol. Its IUPAC name is N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide
PubChem CID121474061
Molecular FormulaC26H26F2N6O2
Molecular Weight492.53 g/mol
Exact Mass492.21
IUPAC NameN-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide
SMILESCc1ccc([C@H](NC(=O)c2ccc3cnc(N[C@H]4CCOC[C@H]4F)cc3n2)c2cnn(C)c2)cc1F
InChIInChI=1S/C26H26F2N6O2/c1-15-3-4-16(9-19(15)27)25(18-12-30-34(2)13-18)33-26(35)22-6-5-17-11-29-24(10-23(17)31-22)32-21-7-8-36-14-20(21)28/h3-6,9-13,20-21,25H,7-8,14H2,1-2H3,(H,29,32)(H,33,35)/t20-,21+,25+/m1/s1
InChIKeyQGKWYYGHYSEDGS-CZSZKKDXSA-N
XLogP3.87
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide (CID 121474061) is N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide is Cc1ccc([C@H](NC(=O)c2ccc3cnc(N[C@H]4CCOC[C@H]4F)cc3n2)c2cnn(C)c2)cc1F.
What is the InChIKey of N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide?
The InChIKey is QGKWYYGHYSEDGS-CZSZKKDXSA-N. The full InChI is InChI=1S/C26H26F2N6O2/c1-15-3-4-16(9-19(15)27)25(18-12-30-34(2)13-18)33-26(35)22-6-5-17-11-29-24(10-23(17)31-22)32-21-7-8-36-14-20(21)28/h3-6,9-13,20-21,25H,7-8,14H2,1-2H3,(H,29,32)(H,33,35)/t20-,21+,25+/m1/s1.
What are the key properties of N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide?
N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide has a molecular weight of 492.53 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 121474061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).