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

C24H25FN6O3 — CID 73334774

IUPACN-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2ccc3cnc(N[C@@H](C)CO)cc3n2)c2cnn(C)c2)cc1F
InChIInChI=1S/C24H25FN6O3/c1-14(13-32)28-22-9-20-16(10-26-22)4-6-19(29-20)24(33)30-23(17-11-27-31(2)12-17)15-5-7-21(34-3)18(25)8-15/h4-12,14,23,32H,13H2,1-3H3,(H,26,28)(H,30,33)/t14-,23-/m0/s1
InChIKeyWRSGIHWQWREBIP-PSLXWICFSA-N
MW464.50 g/mol
LogP2.82
Rot. Bonds8

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

N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide (PubChem CID 73334774) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is N-[(S)-(3-fluoro-4-methoxyphenyl)-(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-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide
PubChem CID73334774
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC NameN-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2ccc3cnc(N[C@@H](C)CO)cc3n2)c2cnn(C)c2)cc1F
InChIInChI=1S/C24H25FN6O3/c1-14(13-32)28-22-9-20-16(10-26-22)4-6-19(29-20)24(33)30-23(17-11-27-31(2)12-17)15-5-7-21(34-3)18(25)8-15/h4-12,14,23,32H,13H2,1-3H3,(H,26,28)(H,30,33)/t14-,23-/m0/s1
InChIKeyWRSGIHWQWREBIP-PSLXWICFSA-N
XLogP2.82
TPSA114.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-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-methoxyphenyl)-(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-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide (CID 73334774) is N-[(S)-(3-fluoro-4-methoxyphenyl)-(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-methoxyphenyl)-(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-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide is COc1ccc([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-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide?
The InChIKey is WRSGIHWQWREBIP-PSLXWICFSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-14(13-32)28-22-9-20-16(10-26-22)4-6-19(29-20)24(33)30-23(17-11-27-31(2)12-17)15-5-7-21(34-3)18(25)8-15/h4-12,14,23,32H,13H2,1-3H3,(H,26,28)(H,30,33)/t14-,23-/m0/s1.
What are the key properties of N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide?
N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 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-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 73334774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).