1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide

C22H24N6O2 — CID 90620663

IUPAC1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCCCc2cnc3cc(C)nn3c2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C22H24N6O2/c1-4-27-13-18(20(29)17-8-7-14(2)25-21(17)27)22(30)23-9-5-6-16-11-24-19-10-15(3)26-28(19)12-16/h7-8,10-13H,4-6,9H2,1-3H3,(H,23,30)
InChIKeyKVQNHORYUMMLGG-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.44
Rot. Bonds6

About 1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 90620663) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID90620663
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCCCc2cnc3cc(C)nn3c2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C22H24N6O2/c1-4-27-13-18(20(29)17-8-7-14(2)25-21(17)27)22(30)23-9-5-6-16-11-24-19-10-15(3)26-28(19)12-16/h7-8,10-13H,4-6,9H2,1-3H3,(H,23,30)
InChIKeyKVQNHORYUMMLGG-UHFFFAOYSA-N
XLogP2.44
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 11087497
N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4285783
2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide
CID 90620671
1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660897
2-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620689
2-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90620527
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide
CID 90620692
2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 90620616
1-ethyl-N-[(2R)-2-hydroxypropyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 95074253
N-[(3,5-dimethoxyphenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 1457746
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-pyrazol-1-ylacetamide
CID 90620641
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 73168295

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 90620663) is 1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NCCCc2cnc3cc(C)nn3c2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is KVQNHORYUMMLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-4-27-13-18(20(29)17-8-7-14(2)25-21(17)27)22(30)23-9-5-6-16-11-24-19-10-15(3)26-28(19)12-16/h7-8,10-13H,4-6,9H2,1-3H3,(H,23,30).
What are the key properties of 1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 90620663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).