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

C22H23FN6O2 — CID 165414951

IUPAC4-(azetidine-1-carbonyl)-N-[(7R)-2-(4-fluorophenyl)-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(-c3ccc(F)cc3)nc2C1
InChIInChI=1S/C22H23FN6O2/c1-27-20(17(12-24-27)22(31)28-8-2-9-28)21(30)25-16-7-10-29-13-18(26-19(29)11-16)14-3-5-15(23)6-4-14/h3-6,12-13,16H,2,7-11H2,1H3,(H,25,30)/t16-/m1/s1
InChIKeyCXTQBAYUEXLYOR-MRXNPFEDSA-N
MW422.46 g/mol
LogP2.01
Rot. Bonds4

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

4-(azetidine-1-carbonyl)-N-[(7R)-2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165414951) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[(7R)-2-(4-fluorophenyl)-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-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165414951
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name4-(azetidine-1-carbonyl)-N-[(7R)-2-(4-fluorophenyl)-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(-c3ccc(F)cc3)nc2C1
InChIInChI=1S/C22H23FN6O2/c1-27-20(17(12-24-27)22(31)28-8-2-9-28)21(30)25-16-7-10-29-13-18(26-19(29)11-16)14-3-5-15(23)6-4-14/h3-6,12-13,16H,2,7-11H2,1H3,(H,25,30)/t16-/m1/s1
InChIKeyCXTQBAYUEXLYOR-MRXNPFEDSA-N
XLogP2.01
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[(7R)-2-(4-fluorophenyl)-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-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 165414951) is 4-(azetidine-1-carbonyl)-N-[(7R)-2-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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(-c3ccc(F)cc3)nc2C1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[(7R)-2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is CXTQBAYUEXLYOR-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-27-20(17(12-24-27)22(31)28-8-2-9-28)21(30)25-16-7-10-29-13-18(26-19(29)11-16)14-3-5-15(23)6-4-14/h3-6,12-13,16H,2,7-11H2,1H3,(H,25,30)/t16-/m1/s1.
What are the key properties of 4-(azetidine-1-carbonyl)-N-[(7R)-2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[(7R)-2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 2.01, 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-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165414951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).