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

C24H25FN6O2 — CID 121474045

IUPACN-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide
SMILESCc1ccc([C@H](NC(=O)c2ccc3cnc(N[C@@H](C)CO)cc3n2)c2cnn(C)c2)cc1F
InChIInChI=1S/C24H25FN6O2/c1-14-4-5-16(8-19(14)25)23(18-11-27-31(3)12-18)30-24(33)20-7-6-17-10-26-22(9-21(17)29-20)28-15(2)13-32/h4-12,15,23,32H,13H2,1-3H3,(H,26,28)(H,30,33)/t15-,23-/m0/s1
InChIKeyCIMVTROESQRIQH-WNSKOXEYSA-N
MW448.50 g/mol
LogP3.12
Rot. Bonds7

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

N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide (PubChem CID 121474045) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide
PubChem CID121474045
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC NameN-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide
SMILESCc1ccc([C@H](NC(=O)c2ccc3cnc(N[C@@H](C)CO)cc3n2)c2cnn(C)c2)cc1F
InChIInChI=1S/C24H25FN6O2/c1-14-4-5-16(8-19(14)25)23(18-11-27-31(3)12-18)30-24(33)20-7-6-17-10-26-22(9-21(17)29-20)28-15(2)13-32/h4-12,15,23,32H,13H2,1-3H3,(H,26,28)(H,30,33)/t15-,23-/m0/s1
InChIKeyCIMVTROESQRIQH-WNSKOXEYSA-N
XLogP3.12
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide (CID 121474045) is N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-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-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide is Cc1ccc([C@H](NC(=O)c2ccc3cnc(N[C@@H](C)CO)cc3n2)c2cnn(C)c2)cc1F.
What is the InChIKey of N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide?
The InChIKey is CIMVTROESQRIQH-WNSKOXEYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-14-4-5-16(8-19(14)25)23(18-11-27-31(3)12-18)30-24(33)20-7-6-17-10-26-22(9-21(17)29-20)28-15(2)13-32/h4-12,15,23,32H,13H2,1-3H3,(H,26,28)(H,30,33)/t15-,23-/m0/s1.
What are the key properties of N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide?
N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 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-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 121474045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).