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

C23H26N6O3 — CID 165414899

IUPAC4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(-c2cn3c(n2)C[C@H](NC(=O)c2c(C(=O)N4CCC4)cnn2C)CC3)c1
InChIInChI=1S/C23H26N6O3/c1-27-21(18(13-24-27)23(31)28-8-4-9-28)22(30)25-16-7-10-29-14-19(26-20(29)12-16)15-5-3-6-17(11-15)32-2/h3,5-6,11,13-14,16H,4,7-10,12H2,1-2H3,(H,25,30)/t16-/m1/s1
InChIKeyDJNFDPFQCICWDB-MRXNPFEDSA-N
MW434.50 g/mol
LogP1.88
Rot. Bonds5

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

4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165414899) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-methoxyphenyl)-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-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165414899
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(-c2cn3c(n2)C[C@H](NC(=O)c2c(C(=O)N4CCC4)cnn2C)CC3)c1
InChIInChI=1S/C23H26N6O3/c1-27-21(18(13-24-27)23(31)28-8-4-9-28)22(30)25-16-7-10-29-14-19(26-20(29)12-16)15-5-3-6-17(11-15)32-2/h3,5-6,11,13-14,16H,4,7-10,12H2,1-2H3,(H,25,30)/t16-/m1/s1
InChIKeyDJNFDPFQCICWDB-MRXNPFEDSA-N
XLogP1.88
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-methoxyphenyl)-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-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 165414899) is 4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is COc1cccc(-c2cn3c(n2)C[C@H](NC(=O)c2c(C(=O)N4CCC4)cnn2C)CC3)c1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is DJNFDPFQCICWDB-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-27-21(18(13-24-27)23(31)28-8-4-9-28)22(30)25-16-7-10-29-14-19(26-20(29)12-16)15-5-3-6-17(11-15)32-2/h3,5-6,11,13-14,16H,4,7-10,12H2,1-2H3,(H,25,30)/t16-/m1/s1.
What are the key properties of 4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165414899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).