4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide

C27H32N8O — CID 127045879

IUPAC4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
SMILESCN(C)C1(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CCN(c2ncnc3[nH]c4c(c23)CCCC4)CC1
InChIInChI=1S/C27H32N8O/c1-34(2)27(26(36)31-19-7-5-6-18(16-19)21-10-13-30-33-21)11-14-35(15-12-27)25-23-20-8-3-4-9-22(20)32-24(23)28-17-29-25/h5-7,10,13,16-17H,3-4,8-9,11-12,14-15H2,1-2H3,(H,30,33)(H,31,36)(H,28,29,32)
InChIKeyPAOKFNVXQHEMAT-UHFFFAOYSA-N
MW484.61 g/mol
LogP3.77
Rot. Bonds5

About 4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide

4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide (PubChem CID 127045879) has the molecular formula C27H32N8O and a molecular weight of 484.61 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
PubChem CID127045879
Molecular FormulaC27H32N8O
Molecular Weight484.61 g/mol
Exact Mass484.27
IUPAC Name4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
SMILESCN(C)C1(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CCN(c2ncnc3[nH]c4c(c23)CCCC4)CC1
InChIInChI=1S/C27H32N8O/c1-34(2)27(26(36)31-19-7-5-6-18(16-19)21-10-13-30-33-21)11-14-35(15-12-27)25-23-20-8-3-4-9-22(20)32-24(23)28-17-29-25/h5-7,10,13,16-17H,3-4,8-9,11-12,14-15H2,1-2H3,(H,30,33)(H,31,36)(H,28,29,32)
InChIKeyPAOKFNVXQHEMAT-UHFFFAOYSA-N
XLogP3.77
TPSA105.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(dimethylamino)-N-(3-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
CID 127047270
[3-[[4-(dimethylamino)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 127047267
4-(dimethylamino)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid
CID 118425805
4-(dimethylamino)-N-(2-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
CID 127047397
4-(dimethylamino)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 123468186
1-(6,6-difluoro-5,7,8,9-tetrahydropyrimido[4,5-b]indol-4-yl)-4-(dimethylamino)piperidine-4-carboxylic acid
CID 118425876
1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 115452566
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-1-carboxamide
CID 79157648
2-(hydroxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide
CID 138013307
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide
CID 106753513
1-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 91834454
N-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 138013343

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide (CID 127045879) is 4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide is CN(C)C1(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CCN(c2ncnc3[nH]c4c(c23)CCCC4)CC1.
What is the InChIKey of 4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide?
The InChIKey is PAOKFNVXQHEMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O/c1-34(2)27(26(36)31-19-7-5-6-18(16-19)21-10-13-30-33-21)11-14-35(15-12-27)25-23-20-8-3-4-9-22(20)32-24(23)28-17-29-25/h5-7,10,13,16-17H,3-4,8-9,11-12,14-15H2,1-2H3,(H,30,33)(H,31,36)(H,28,29,32).
What are the key properties of 4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide?
4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide has a molecular weight of 484.61 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 127045879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).