N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide

C24H23N5O3 — CID 162772174

IUPACN-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c(=O)c2cccnc12
InChIInChI=1S/C24H23N5O3/c30-21-6-1-5-20(21)27-23(31)19-15-28(24(32)18-4-2-11-25-22(18)19)14-16-7-9-17(10-8-16)29-13-3-12-26-29/h2-4,7-13,15,20-21,30H,1,5-6,14H2,(H,27,31)/t20-,21-/m0/s1
InChIKeyVMQFQSUUSFRBAY-SFTDATJTSA-N
MW429.48 g/mol
LogP2.27
Rot. Bonds5

About N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide

N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide (PubChem CID 162772174) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide
PubChem CID162772174
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c(=O)c2cccnc12
InChIInChI=1S/C24H23N5O3/c30-21-6-1-5-20(21)27-23(31)19-15-28(24(32)18-4-2-11-25-22(18)19)14-16-7-9-17(10-8-16)29-13-3-12-26-29/h2-4,7-13,15,20-21,30H,1,5-6,14H2,(H,27,31)/t20-,21-/m0/s1
InChIKeyVMQFQSUUSFRBAY-SFTDATJTSA-N
XLogP2.27
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide (CID 162772174) is N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide is O=C(N[C@H]1CCC[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c(=O)c2cccnc12.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide?
The InChIKey is VMQFQSUUSFRBAY-SFTDATJTSA-N. The full InChI is InChI=1S/C24H23N5O3/c30-21-6-1-5-20(21)27-23(31)19-15-28(24(32)18-4-2-11-25-22(18)19)14-16-7-9-17(10-8-16)29-13-3-12-26-29/h2-4,7-13,15,20-21,30H,1,5-6,14H2,(H,27,31)/t20-,21-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide?
N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 162772174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).