1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide

C24H22N6O3 — CID 51033925

IUPAC1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2C[C@@H]3C[C@@H]2CO3)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C24H22N6O3/c1-28-22(19(11-25-28)24(32)30-12-18-10-17(30)14-33-18)23(31)26-16-7-8-29-13-20(27-21(29)9-16)15-5-3-2-4-6-15/h2-9,11,13,17-18H,10,12,14H2,1H3,(H,26,31)/t17-,18+/m1/s1
InChIKeyXLKGXRJDEKYPRO-MSOLQXFVSA-N
MW442.48 g/mol
LogP2.60
Rot. Bonds4

About 1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide

1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 51033925) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID51033925
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2C[C@@H]3C[C@@H]2CO3)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C24H22N6O3/c1-28-22(19(11-25-28)24(32)30-12-18-10-17(30)14-33-18)23(31)26-16-7-8-29-13-20(27-21(29)9-16)15-5-3-2-4-6-15/h2-9,11,13,17-18H,10,12,14H2,1H3,(H,26,31)/t17-,18+/m1/s1
InChIKeyXLKGXRJDEKYPRO-MSOLQXFVSA-N
XLogP2.60
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-4-(2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 75601870
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4,5-dicarboxamide
CID 51033928
1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
CID 67041914
N-(3-acetamidophenyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801394
methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 57378953
4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
CID 57377301
4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
CID 67388568
4-N,1-dimethyl-4-N-(2-methylpropyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67384242
4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71506857
5-methyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 122284883
4-N-(2-hydroxypropyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 58446793
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylbenzamide
CID 121089744

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 51033925) is 1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide is Cn1ncc(C(=O)N2C[C@@H]3C[C@@H]2CO3)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1.
What is the InChIKey of 1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is XLKGXRJDEKYPRO-MSOLQXFVSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-28-22(19(11-25-28)24(32)30-12-18-10-17(30)14-33-18)23(31)26-16-7-8-29-13-20(27-21(29)9-16)15-5-3-2-4-6-15/h2-9,11,13,17-18H,10,12,14H2,1H3,(H,26,31)/t17-,18+/m1/s1.
What are the key properties of 1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 51033925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).