N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide

C27H28FN5O — CID 69012733

IUPACN-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
SMILESCc1cccc2c1c(C(=O)NCC(c1ccc(F)cc1)N1CCCCC1)cn2-c1ncccn1
InChIInChI=1S/C27H28FN5O/c1-19-7-5-8-23-25(19)22(18-33(23)27-29-13-6-14-30-27)26(34)31-17-24(32-15-3-2-4-16-32)20-9-11-21(28)12-10-20/h5-14,18,24H,2-4,15-17H2,1H3,(H,31,34)
InChIKeyOGULYLDMHWGPIK-UHFFFAOYSA-N
MW457.55 g/mol
LogP4.83
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide

N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide (PubChem CID 69012733) has the molecular formula C27H28FN5O and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
PubChem CID69012733
Molecular FormulaC27H28FN5O
Molecular Weight457.55 g/mol
Exact Mass457.23
IUPAC NameN-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
SMILESCc1cccc2c1c(C(=O)NCC(c1ccc(F)cc1)N1CCCCC1)cn2-c1ncccn1
InChIInChI=1S/C27H28FN5O/c1-19-7-5-8-23-25(19)22(18-33(23)27-29-13-6-14-30-27)26(34)31-17-24(32-15-3-2-4-16-32)20-9-11-21(28)12-10-20/h5-14,18,24H,2-4,15-17H2,1H3,(H,31,34)
InChIKeyOGULYLDMHWGPIK-UHFFFAOYSA-N
XLogP4.83
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-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

N-[2-(6-methoxy-3-pyridinyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
CID 25190407
4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide
CID 123805184
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylpyridine-4-carboxamide
CID 118794898
4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69083928
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 72879927
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide
CID 30878247
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97144404
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyridine-4-carboxamide
CID 74238178
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide
CID 35047300
N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
CID 25190235
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951537

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide (CID 69012733) is N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide is Cc1cccc2c1c(C(=O)NCC(c1ccc(F)cc1)N1CCCCC1)cn2-c1ncccn1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide?
The InChIKey is OGULYLDMHWGPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O/c1-19-7-5-8-23-25(19)22(18-33(23)27-29-13-6-14-30-27)26(34)31-17-24(32-15-3-2-4-16-32)20-9-11-21(28)12-10-20/h5-14,18,24H,2-4,15-17H2,1H3,(H,31,34).
What are the key properties of N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide?
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide is sourced from PubChem (CID 69012733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).