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

C24H28N6O3 — CID 165414943

IUPAC4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCCOc1ccccc1-c1cn2c(n1)C[C@H](NC(=O)c1c(C(=O)N3CCC3)cnn1C)CC2
InChIInChI=1S/C24H28N6O3/c1-3-33-20-8-5-4-7-17(20)19-15-30-12-9-16(13-21(30)27-19)26-23(31)22-18(14-25-28(22)2)24(32)29-10-6-11-29/h4-5,7-8,14-16H,3,6,9-13H2,1-2H3,(H,26,31)/t16-/m1/s1
InChIKeyVPNZYCMLMDJOQQ-MRXNPFEDSA-N
MW448.53 g/mol
LogP2.27
Rot. Bonds6

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

4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165414943) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-ethoxyphenyl)-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-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165414943
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCCOc1ccccc1-c1cn2c(n1)C[C@H](NC(=O)c1c(C(=O)N3CCC3)cnn1C)CC2
InChIInChI=1S/C24H28N6O3/c1-3-33-20-8-5-4-7-17(20)19-15-30-12-9-16(13-21(30)27-19)26-23(31)22-18(14-25-28(22)2)24(32)29-10-6-11-29/h4-5,7-8,14-16H,3,6,9-13H2,1-2H3,(H,26,31)/t16-/m1/s1
InChIKeyVPNZYCMLMDJOQQ-MRXNPFEDSA-N
XLogP2.27
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-ethoxyphenyl)-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-(2-ethoxyphenyl)-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-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 165414943) is 4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is CCOc1ccccc1-c1cn2c(n1)C[C@H](NC(=O)c1c(C(=O)N3CCC3)cnn1C)CC2.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is VPNZYCMLMDJOQQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-3-33-20-8-5-4-7-17(20)19-15-30-12-9-16(13-21(30)27-19)26-23(31)22-18(14-25-28(22)2)24(32)29-10-6-11-29/h4-5,7-8,14-16H,3,6,9-13H2,1-2H3,(H,26,31)/t16-/m1/s1.
What are the key properties of 4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[(7R)-2-(2-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 2.27, 6 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-(2-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165414943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).