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

C23H26N6O2 — CID 165414908

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-3-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide
SMILESCc1c(-c2ccccc2)nc2n1CC[C@@H](NC(=O)c1c(C(=O)N3CCC3)cnn1C)C2
InChIInChI=1S/C23H26N6O2/c1-15-20(16-7-4-3-5-8-16)26-19-13-17(9-12-29(15)19)25-22(30)21-18(14-24-27(21)2)23(31)28-10-6-11-28/h3-5,7-8,14,17H,6,9-13H2,1-2H3,(H,25,30)/t17-/m1/s1
InChIKeyLRAOLQICHUDMSV-QGZVFWFLSA-N
MW418.50 g/mol
LogP2.18
Rot. Bonds4

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

4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-3-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide (PubChem CID 165414908) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-3-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-3-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide
PubChem CID165414908
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-3-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide
SMILESCc1c(-c2ccccc2)nc2n1CC[C@@H](NC(=O)c1c(C(=O)N3CCC3)cnn1C)C2
InChIInChI=1S/C23H26N6O2/c1-15-20(16-7-4-3-5-8-16)26-19-13-17(9-12-29(15)19)25-22(30)21-18(14-24-27(21)2)23(31)28-10-6-11-28/h3-5,7-8,14,17H,6,9-13H2,1-2H3,(H,25,30)/t17-/m1/s1
InChIKeyLRAOLQICHUDMSV-QGZVFWFLSA-N
XLogP2.18
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-3-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-3-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide (CID 165414908) is 4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-3-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-3-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-3-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide is Cc1c(-c2ccccc2)nc2n1CC[C@@H](NC(=O)c1c(C(=O)N3CCC3)cnn1C)C2.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-3-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide?
The InChIKey is LRAOLQICHUDMSV-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15-20(16-7-4-3-5-8-16)26-19-13-17(9-12-29(15)19)25-22(30)21-18(14-24-27(21)2)23(31)28-10-6-11-28/h3-5,7-8,14,17H,6,9-13H2,1-2H3,(H,25,30)/t17-/m1/s1.
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-3-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-3-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.18, 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)-1-methyl-N-[(7R)-3-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 165414908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).