4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

C22H23ClN6O2 — CID 165415022

IUPAC4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3Cl)nc2C1
InChIInChI=1S/C22H23ClN6O2/c1-27-20(16(12-24-27)22(31)28-8-4-9-28)21(30)25-14-7-10-29-13-18(26-19(29)11-14)15-5-2-3-6-17(15)23/h2-3,5-6,12-14H,4,7-11H2,1H3,(H,25,30)/t14-/m1/s1
InChIKeyALSPEKRFOKKRDT-CQSZACIVSA-N
MW438.92 g/mol
LogP2.53
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165415022) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165415022
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC Name4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3Cl)nc2C1
InChIInChI=1S/C22H23ClN6O2/c1-27-20(16(12-24-27)22(31)28-8-4-9-28)21(30)25-14-7-10-29-13-18(26-19(29)11-14)15-5-2-3-6-17(15)23/h2-3,5-6,12-14H,4,7-11H2,1H3,(H,25,30)/t14-/m1/s1
InChIKeyALSPEKRFOKKRDT-CQSZACIVSA-N
XLogP2.53
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide with MolForge

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Related Compounds

N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377630
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288606
4-(azetidine-1-carbonyl)-N-[2-[5-(3-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288682
4-(azetidine-1-carbonyl)-1-methyl-N-{2-[3-phenyl-1-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-pyrazole-5-carboxamide
CID 71288719
2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazole-3,4-dicarboxamide
CID 53469250
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776704
5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 69936421
2-(6-Chloro-1-Methyl-1h-Indazol-3-Yl)-N-(Propan-2-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 71279939
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 71288499

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 165415022) is 4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3Cl)nc2C1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is ALSPEKRFOKKRDT-CQSZACIVSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c1-27-20(16(12-24-27)22(31)28-8-4-9-28)21(30)25-14-7-10-29-13-18(26-19(29)11-14)15-5-2-3-6-17(15)23/h2-3,5-6,12-14H,4,7-11H2,1H3,(H,25,30)/t14-/m1/s1.
What are the key properties of 4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).