N-(4-morpholin-4-ylcyclohexyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide

C28H31N7O2 — CID 71233680

IUPACN-(4-morpholin-4-ylcyclohexyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
SMILESO=C(NC1CCC(N2CCOCC2)CC1)c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1
InChIInChI=1S/C28H31N7O2/c36-27(31-20-4-7-22(8-5-20)35-13-15-37-16-14-35)26-18-19-17-21(6-9-23(19)33-26)32-28-30-12-10-25(34-28)24-3-1-2-11-29-24/h1-3,6,9-12,17-18,20,22,33H,4-5,7-8,13-16H2,(H,31,36)(H,30,32,34)
InChIKeyRHPCZZCPPLEZOP-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.14
Rot. Bonds6

About N-(4-morpholin-4-ylcyclohexyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide

N-(4-morpholin-4-ylcyclohexyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide (PubChem CID 71233680) has the molecular formula C28H31N7O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-(4-morpholin-4-ylcyclohexyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylcyclohexyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
PubChem CID71233680
Molecular FormulaC28H31N7O2
Molecular Weight497.60 g/mol
Exact Mass497.25
IUPAC NameN-(4-morpholin-4-ylcyclohexyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
SMILESO=C(NC1CCC(N2CCOCC2)CC1)c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1
InChIInChI=1S/C28H31N7O2/c36-27(31-20-4-7-22(8-5-20)35-13-15-37-16-14-35)26-18-19-17-21(6-9-23(19)33-26)32-28-30-12-10-25(34-28)24-3-1-2-11-29-24/h1-3,6,9-12,17-18,20,22,33H,4-5,7-8,13-16H2,(H,31,36)(H,30,32,34)
InChIKeyRHPCZZCPPLEZOP-UHFFFAOYSA-N
XLogP4.14
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(4-morpholin-4-ylcyclohexyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-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 N-(4-morpholin-4-ylcyclohexyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylcyclohexyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide (CID 71233680) is N-(4-morpholin-4-ylcyclohexyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylcyclohexyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylcyclohexyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide is O=C(NC1CCC(N2CCOCC2)CC1)c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1.
What is the InChIKey of N-(4-morpholin-4-ylcyclohexyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?
The InChIKey is RHPCZZCPPLEZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O2/c36-27(31-20-4-7-22(8-5-20)35-13-15-37-16-14-35)26-18-19-17-21(6-9-23(19)33-26)32-28-30-12-10-25(34-28)24-3-1-2-11-29-24/h1-3,6,9-12,17-18,20,22,33H,4-5,7-8,13-16H2,(H,31,36)(H,30,32,34).
What are the key properties of N-(4-morpholin-4-ylcyclohexyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?
N-(4-morpholin-4-ylcyclohexyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylcyclohexyl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 71233680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).