4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

C22H23ClN6O2 — CID 165414903

IUPAC4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-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(-c3cccc(Cl)c3)nc2C1
InChIInChI=1S/C22H23ClN6O2/c1-27-20(17(12-24-27)22(31)28-7-3-8-28)21(30)25-16-6-9-29-13-18(26-19(29)11-16)14-4-2-5-15(23)10-14/h2,4-5,10,12-13,16H,3,6-9,11H2,1H3,(H,25,30)/t16-/m1/s1
InChIKeyDSIRJEDIEJPYGV-MRXNPFEDSA-N
MW438.92 g/mol
LogP2.53
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165414903) 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-(3-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-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165414903
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC Name4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-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(-c3cccc(Cl)c3)nc2C1
InChIInChI=1S/C22H23ClN6O2/c1-27-20(17(12-24-27)22(31)28-7-3-8-28)21(30)25-16-6-9-29-13-18(26-19(29)11-16)14-4-2-5-15(23)10-14/h2,4-5,10,12-13,16H,3,6-9,11H2,1H3,(H,25,30)/t16-/m1/s1
InChIKeyDSIRJEDIEJPYGV-MRXNPFEDSA-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-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide with MolForge

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Related Compounds

CID 51033482
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CID 57377630
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CID 57377741
CID 57377741
CID 71288606
CID 71288606
CID 71288682
CID 71288682
CID 71288719
CID 71288719
CID 53469250
CID 53469250
CID 67776704
CID 67776704
CID 69936421
CID 69936421
CID 71279939
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CID 71288499

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-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-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 165414903) is 4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-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-(3-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-(3-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(-c3cccc(Cl)c3)nc2C1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is DSIRJEDIEJPYGV-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c1-27-20(17(12-24-27)22(31)28-7-3-8-28)21(30)25-16-6-9-29-13-18(26-19(29)11-16)14-4-2-5-15(23)10-14/h2,4-5,10,12-13,16H,3,6-9,11H2,1H3,(H,25,30)/t16-/m1/s1.
What are the key properties of 4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-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-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165414903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).