N-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C21H19N5O3 — CID 131939708

IUPACN-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1-n1cc(C(C)NC(=O)c2cnc3ccccn3c2=O)cn1
InChIInChI=1S/C21H19N5O3/c1-14(15-11-23-26(13-15)17-7-3-4-8-18(17)29-2)24-20(27)16-12-22-19-9-5-6-10-25(19)21(16)28/h3-14H,1-2H3,(H,24,27)
InChIKeyYWIAKWXMNZUVQH-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.38
Rot. Bonds5

About N-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 131939708) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID131939708
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1-n1cc(C(C)NC(=O)c2cnc3ccccn3c2=O)cn1
InChIInChI=1S/C21H19N5O3/c1-14(15-11-23-26(13-15)17-7-3-4-8-18(17)29-2)24-20(27)16-12-22-19-9-5-6-10-25(19)21(16)28/h3-14H,1-2H3,(H,24,27)
InChIKeyYWIAKWXMNZUVQH-UHFFFAOYSA-N
XLogP2.38
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97122212
4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 103856081
N-(1-naphthalen-2-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614690
4-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614854
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94173617
1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea
CID 125443355
N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125165825
(2S,3R)-3-hydroxy-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 104964893
1-[(1-hydroxycyclohexyl)methyl]-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea
CID 125445589
N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 17459377
N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575307
N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878675

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 131939708) is N-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1ccccc1-n1cc(C(C)NC(=O)c2cnc3ccccn3c2=O)cn1.
What is the InChIKey of N-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YWIAKWXMNZUVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-14(15-11-23-26(13-15)17-7-3-4-8-18(17)29-2)24-20(27)16-12-22-19-9-5-6-10-25(19)21(16)28/h3-14H,1-2H3,(H,24,27).
What are the key properties of N-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 131939708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).