4-(azetidine-1-carbonyl)-N-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide

C21H19N7O3 — CID 53468240

IUPAC4-(azetidine-1-carbonyl)-N-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2cc(-c3cccc(O)c3)nc2n1
InChIInChI=1S/C21H19N7O3/c1-26-18(15(11-22-26)20(31)27-7-3-8-27)19(30)24-17-6-9-28-12-16(23-21(28)25-17)13-4-2-5-14(29)10-13/h2,4-6,9-12,29H,3,7-8H2,1H3,(H,23,24,25,30)
InChIKeyKMANVEAVMQFFEN-UHFFFAOYSA-N
MW417.43 g/mol
LogP1.93
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-N-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 53468240) has the molecular formula C21H19N7O3 and a molecular weight of 417.43 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID53468240
Molecular FormulaC21H19N7O3
Molecular Weight417.43 g/mol
Exact Mass417.15
IUPAC Name4-(azetidine-1-carbonyl)-N-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2cc(-c3cccc(O)c3)nc2n1
InChIInChI=1S/C21H19N7O3/c1-26-18(15(11-22-26)20(31)27-7-3-8-27)19(30)24-17-6-9-28-12-16(23-21(28)25-17)13-4-2-5-14(29)10-13/h2,4-6,9-12,29H,3,7-8H2,1H3,(H,23,24,25,30)
InChIKeyKMANVEAVMQFFEN-UHFFFAOYSA-N
XLogP1.93
TPSA117.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(azetidine-1-carbonyl)-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378843
4-(azetidine-1-carbonyl)-N-[2-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378844
5-N-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468453
4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468648
5-N-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 87381454
4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 87381553
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378494
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378960
4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 51000508
4-N-ethyl-5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414843
5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414844
4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414850

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide (CID 53468240) is 4-(azetidine-1-carbonyl)-N-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2cc(-c3cccc(O)c3)nc2n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is KMANVEAVMQFFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3/c1-26-18(15(11-22-26)20(31)27-7-3-8-27)19(30)24-17-6-9-28-12-16(23-21(28)25-17)13-4-2-5-14(29)10-13/h2,4-6,9-12,29H,3,7-8H2,1H3,(H,23,24,25,30).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 53468240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).