N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide

C26H27FN6O3 — CID 73336228

IUPACN-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)c2cnn(C)c2)cc1F
InChIInChI=1S/C26H27FN6O3/c1-33-15-18(14-29-33)25(16-4-6-23(35-2)20(27)11-16)32-26(34)21-5-3-17-13-28-24(12-22(17)31-21)30-19-7-9-36-10-8-19/h3-6,11-15,19,25H,7-10H2,1-2H3,(H,28,30)(H,32,34)/t25-/m0/s1
InChIKeyJAUXVEYDNKFQJQ-VWLOTQADSA-N
MW490.54 g/mol
LogP3.62
Rot. Bonds7

About N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide

N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide (PubChem CID 73336228) has the molecular formula C26H27FN6O3 and a molecular weight of 490.54 g/mol. Its IUPAC name is N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
PubChem CID73336228
Molecular FormulaC26H27FN6O3
Molecular Weight490.54 g/mol
Exact Mass490.21
IUPAC NameN-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)c2cnn(C)c2)cc1F
InChIInChI=1S/C26H27FN6O3/c1-33-15-18(14-29-33)25(16-4-6-23(35-2)20(27)11-16)32-26(34)21-5-3-17-13-28-24(12-22(17)31-21)30-19-7-9-36-10-8-19/h3-6,11-15,19,25H,7-10H2,1-2H3,(H,28,30)(H,32,34)/t25-/m0/s1
InChIKeyJAUXVEYDNKFQJQ-VWLOTQADSA-N
XLogP3.62
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-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-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide (CID 73336228) is N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide is COc1ccc([C@H](NC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)c2cnn(C)c2)cc1F.
What is the InChIKey of N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
The InChIKey is JAUXVEYDNKFQJQ-VWLOTQADSA-N. The full InChI is InChI=1S/C26H27FN6O3/c1-33-15-18(14-29-33)25(16-4-6-23(35-2)20(27)11-16)32-26(34)21-5-3-17-13-28-24(12-22(17)31-21)30-19-7-9-36-10-8-19/h3-6,11-15,19,25H,7-10H2,1-2H3,(H,28,30)(H,32,34)/t25-/m0/s1.
What are the key properties of N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide has a molecular weight of 490.54 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 73336228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).