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

C25H25FN6O2 — CID 121474062

IUPACN-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide
SMILESCc1ccc([C@H](NC(=O)c2ccc3cnc(N[C@H]4CCOC4)cc3n2)c2cnn(C)c2)cc1F
InChIInChI=1S/C25H25FN6O2/c1-15-3-4-16(9-20(15)26)24(18-12-28-32(2)13-18)31-25(33)21-6-5-17-11-27-23(10-22(17)30-21)29-19-7-8-34-14-19/h3-6,9-13,19,24H,7-8,14H2,1-2H3,(H,27,29)(H,31,33)/t19-,24-/m0/s1
InChIKeyLMRKIWDDVWZAET-CYFREDJKSA-N
MW460.51 g/mol
LogP3.53
Rot. Bonds6

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

N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide (PubChem CID 121474062) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide
PubChem CID121474062
Molecular FormulaC25H25FN6O2
Molecular Weight460.51 g/mol
Exact Mass460.20
IUPAC NameN-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide
SMILESCc1ccc([C@H](NC(=O)c2ccc3cnc(N[C@H]4CCOC4)cc3n2)c2cnn(C)c2)cc1F
InChIInChI=1S/C25H25FN6O2/c1-15-3-4-16(9-20(15)26)24(18-12-28-32(2)13-18)31-25(33)21-6-5-17-11-27-23(10-22(17)30-21)29-19-7-8-34-14-19/h3-6,9-13,19,24H,7-8,14H2,1-2H3,(H,27,29)(H,31,33)/t19-,24-/m0/s1
InChIKeyLMRKIWDDVWZAET-CYFREDJKSA-N
XLogP3.53
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide 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 N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide (CID 121474062) is N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S)-oxolan-3-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)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide is Cc1ccc([C@H](NC(=O)c2ccc3cnc(N[C@H]4CCOC4)cc3n2)c2cnn(C)c2)cc1F.
What is the InChIKey of N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide?
The InChIKey is LMRKIWDDVWZAET-CYFREDJKSA-N. The full InChI is InChI=1S/C25H25FN6O2/c1-15-3-4-16(9-20(15)26)24(18-12-28-32(2)13-18)31-25(33)21-6-5-17-11-27-23(10-22(17)30-21)29-19-7-8-34-14-19/h3-6,9-13,19,24H,7-8,14H2,1-2H3,(H,27,29)(H,31,33)/t19-,24-/m0/s1.
What are the key properties of N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide?
N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 3.53, 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)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 121474062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).