N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride

C24H30Cl2N6O — CID 118418007

IUPACN-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1)C1CCCNC1
InChIInChI=1S/C24H29ClN6O.ClH/c25-20-14-28-24(31-22(20)19-13-27-21-6-2-1-5-18(19)21)30-17-9-7-16(8-10-17)29-23(32)15-4-3-11-26-12-15;/h1-2,5-6,13-17,26-27H,3-4,7-12H2,(H,29,32)(H,28,30,31);1H
InChIKeyMCYXLZVYNDOENU-UHFFFAOYSA-N
MW489.45 g/mol
LogP4.54
Rot. Bonds5

About N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride

N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 118418007) has the molecular formula C24H30Cl2N6O and a molecular weight of 489.45 g/mol. Its IUPAC name is N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride
PubChem CID118418007
Molecular FormulaC24H30Cl2N6O
Molecular Weight489.45 g/mol
Exact Mass488.19
IUPAC NameN-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1)C1CCCNC1
InChIInChI=1S/C24H29ClN6O.ClH/c25-20-14-28-24(31-22(20)19-13-27-21-6-2-1-5-18(19)21)30-17-9-7-16(8-10-17)29-23(32)15-4-3-11-26-12-15;/h1-2,5-6,13-17,26-27H,3-4,7-12H2,(H,29,32)(H,28,30,31);1H
InChIKeyMCYXLZVYNDOENU-UHFFFAOYSA-N
XLogP4.54
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride 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-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride (CID 118418007) is N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(NC1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1)C1CCCNC1.
What is the InChIKey of N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is MCYXLZVYNDOENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O.ClH/c25-20-14-28-24(31-22(20)19-13-27-21-6-2-1-5-18(19)21)30-17-9-7-16(8-10-17)29-23(32)15-4-3-11-26-12-15;/h1-2,5-6,13-17,26-27H,3-4,7-12H2,(H,29,32)(H,28,30,31);1H.
What are the key properties of N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride?
N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 489.45 g/mol, XLogP of 4.54, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 118418007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).