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

C23H25ClN6O3 — CID 165415053

IUPACN-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCOCC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3Cl)nc2C1
InChIInChI=1S/C23H25ClN6O3/c1-28-21(17(13-25-28)23(32)29-8-10-33-11-9-29)22(31)26-15-6-7-30-14-19(27-20(30)12-15)16-4-2-3-5-18(16)24/h2-5,13-15H,6-12H2,1H3,(H,26,31)/t15-/m1/s1
InChIKeyXJENKMJNLKQBOO-OAHLLOKOSA-N
MW468.95 g/mol
LogP2.15
Rot. Bonds4

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

N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide (PubChem CID 165415053) has the molecular formula C23H25ClN6O3 and a molecular weight of 468.95 g/mol. Its IUPAC name is N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
PubChem CID165415053
Molecular FormulaC23H25ClN6O3
Molecular Weight468.95 g/mol
Exact Mass468.17
IUPAC NameN-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCOCC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3Cl)nc2C1
InChIInChI=1S/C23H25ClN6O3/c1-28-21(17(13-25-28)23(32)29-8-10-33-11-9-29)22(31)26-15-6-7-30-14-19(27-20(30)12-15)16-4-2-3-5-18(16)24/h2-5,13-15H,6-12H2,1H3,(H,26,31)/t15-/m1/s1
InChIKeyXJENKMJNLKQBOO-OAHLLOKOSA-N
XLogP2.15
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.95
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide (CID 165415053) is N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCOCC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3Cl)nc2C1.
What is the InChIKey of N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The InChIKey is XJENKMJNLKQBOO-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25ClN6O3/c1-28-21(17(13-25-28)23(32)29-8-10-33-11-9-29)22(31)26-15-6-7-30-14-19(27-20(30)12-15)16-4-2-3-5-18(16)24/h2-5,13-15H,6-12H2,1H3,(H,26,31)/t15-/m1/s1.
What are the key properties of N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide has a molecular weight of 468.95 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R)-2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide is sourced from PubChem (CID 165415053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).