1H-indol-5-yl-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C24H23N5O — CID 45171645

IUPAC1H-indol-5-yl-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1cnc(-c2cccnc2)nc1C1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C24H23N5O/c1-16-13-27-23(19-4-2-9-25-14-19)28-22(16)20-5-3-11-29(15-20)24(30)18-6-7-21-17(12-18)8-10-26-21/h2,4,6-10,12-14,20,26H,3,5,11,15H2,1H3
InChIKeyMWVPUFUUHISUES-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.35
Rot. Bonds3

About 1H-indol-5-yl-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone

1H-indol-5-yl-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 45171645) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 1H-indol-5-yl-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-5-yl-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID45171645
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name1H-indol-5-yl-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1cnc(-c2cccnc2)nc1C1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C24H23N5O/c1-16-13-27-23(19-4-2-9-25-14-19)28-22(16)20-5-3-11-29(15-20)24(30)18-6-7-21-17(12-18)8-10-26-21/h2,4,6-10,12-14,20,26H,3,5,11,15H2,1H3
InChIKeyMWVPUFUUHISUES-UHFFFAOYSA-N
XLogP4.35
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1H-indol-5-yl-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone 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

pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110214397
[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 11257794
4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 56740506
2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119069700
(1-methylindol-6-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97198977
(4-methylphenyl)-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 92556400
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone
CID 122259448
(3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 70767205
1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone
CID 166328150
pyridin-4-yl-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46960056
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone
CID 122260397
(4-piperidin-1-ylphenyl)-[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 16669713

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-5-yl-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 45171645) is 1H-indol-5-yl-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-5-yl-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-5-yl-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone is Cc1cnc(-c2cccnc2)nc1C1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1.
What is the InChIKey of 1H-indol-5-yl-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is MWVPUFUUHISUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-16-13-27-23(19-4-2-9-25-14-19)28-22(16)20-5-3-11-29(15-20)24(30)18-6-7-21-17(12-18)8-10-26-21/h2,4,6-10,12-14,20,26H,3,5,11,15H2,1H3.
What are the key properties of 1H-indol-5-yl-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
1H-indol-5-yl-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 45171645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).