(3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-carboxamide

C22H21N7O — CID 97428768

IUPAC(3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ncccn1)[C@@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1
InChIInChI=1S/C22H21N7O/c30-21(27-22-23-9-4-10-24-22)17-6-3-11-28(14-17)19-13-20(26-15-25-19)29-12-8-16-5-1-2-7-18(16)29/h1-2,4-5,7-10,12-13,15,17H,3,6,11,14H2,(H,23,24,27,30)/t17-/m1/s1
InChIKeyFAPCIKUQCOKPTA-QGZVFWFLSA-N
MW399.46 g/mol
LogP3.07
Rot. Bonds4

About (3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-carboxamide

(3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 97428768) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is (3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID97428768
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name(3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ncccn1)[C@@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1
InChIInChI=1S/C22H21N7O/c30-21(27-22-23-9-4-10-24-22)17-6-3-11-28(14-17)19-13-20(26-15-25-19)29-12-8-16-5-1-2-7-18(16)29/h1-2,4-5,7-10,12-13,15,17H,3,6,11,14H2,(H,23,24,27,30)/t17-/m1/s1
InChIKeyFAPCIKUQCOKPTA-QGZVFWFLSA-N
XLogP3.07
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-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

(3S)-N-cyclopropyl-1-(6-indol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 97428769
(3S)-1-(6-indol-1-ylpyrimidin-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
CID 97428773
1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide
CID 121104107
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-4-ylpiperidine-3-carboxamide
CID 90520525
1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide
CID 72719837
N-quinolin-6-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90600858
(3R)-N-(3,5-dimethylphenyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 51962224
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide
CID 90514681
(3R)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N-phenylpiperidine-3-carboxamide
CID 124857501
N-(2,4-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519285
(3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95369280
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520656

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-carboxamide (CID 97428768) is (3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(Nc1ncccn1)[C@@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1.
What is the InChIKey of (3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is FAPCIKUQCOKPTA-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21N7O/c30-21(27-22-23-9-4-10-24-22)17-6-3-11-28(14-17)19-13-20(26-15-25-19)29-12-8-16-5-1-2-7-18(16)29/h1-2,4-5,7-10,12-13,15,17H,3,6,11,14H2,(H,23,24,27,30)/t17-/m1/s1.
What are the key properties of (3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-carboxamide?
(3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-indol-1-ylpyrimidin-4-yl)-N-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 97428768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).