N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C26H28N6O2 — CID 90556050

IUPACN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C26H28N6O2/c1-3-31-16-21(24(33)20-12-11-17(2)29-25(20)31)26(34)28-15-18-14-23(22-10-6-7-13-27-22)32(30-18)19-8-4-5-9-19/h6-7,10-14,16,19H,3-5,8-9,15H2,1-2H3,(H,28,34)
InChIKeyGMQHWBMGFUHHQZ-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.03
Rot. Bonds6

About N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 90556050) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID90556050
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C26H28N6O2/c1-3-31-16-21(24(33)20-12-11-17(2)29-25(20)31)26(34)28-15-18-14-23(22-10-6-7-13-27-22)32(30-18)19-8-4-5-9-19/h6-7,10-14,16,19H,3-5,8-9,15H2,1-2H3,(H,28,34)
InChIKeyGMQHWBMGFUHHQZ-UHFFFAOYSA-N
XLogP4.03
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 90556050) is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)c(=O)c2ccc(C)nc21.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is GMQHWBMGFUHHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-3-31-16-21(24(33)20-12-11-17(2)29-25(20)31)26(34)28-15-18-14-23(22-10-6-7-13-27-22)32(30-18)19-8-4-5-9-19/h6-7,10-14,16,19H,3-5,8-9,15H2,1-2H3,(H,28,34).
What are the key properties of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 90556050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).