1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C28H38N6O2 — CID 46358029

IUPAC1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(N2CCC(C(=O)NCCN3CCOCC3)CC2)c1-n1c(C)ccc1C
InChIInChI=1S/C28H38N6O2/c1-21-9-10-22(2)33(21)26-23(3)30-34(25-7-5-4-6-8-25)28(26)32-14-11-24(12-15-32)27(35)29-13-16-31-17-19-36-20-18-31/h4-10,24H,11-20H2,1-3H3,(H,29,35)
InChIKeyIRJOBYCGEWQJSS-UHFFFAOYSA-N
MW490.65 g/mol
LogP3.25
Rot. Bonds7

About 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 46358029) has the molecular formula C28H38N6O2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
PubChem CID46358029
Molecular FormulaC28H38N6O2
Molecular Weight490.65 g/mol
Exact Mass490.31
IUPAC Name1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(N2CCC(C(=O)NCCN3CCOCC3)CC2)c1-n1c(C)ccc1C
InChIInChI=1S/C28H38N6O2/c1-21-9-10-22(2)33(21)26-23(3)30-34(25-7-5-4-6-8-25)28(26)32-14-11-24(12-15-32)27(35)29-13-16-31-17-19-36-20-18-31/h4-10,24H,11-20H2,1-3H3,(H,29,35)
InChIKeyIRJOBYCGEWQJSS-UHFFFAOYSA-N
XLogP3.25
TPSA67.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46358028
1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide
CID 22581101
1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 22581091
1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 22581077
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[3-(azepan-1-yl)propyl]piperidine-4-carboxamide
CID 22581292
N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide
CID 51077897
1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 46396137
5-methyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692539
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide
CID 92876417
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide
CID 46358533
5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 51155914
N-[2-(4-chlorophenyl)ethyl]-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358581

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 46358029) is 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is Cc1nn(-c2ccccc2)c(N2CCC(C(=O)NCCN3CCOCC3)CC2)c1-n1c(C)ccc1C.
What is the InChIKey of 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is IRJOBYCGEWQJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O2/c1-21-9-10-22(2)33(21)26-23(3)30-34(25-7-5-4-6-8-25)28(26)32-14-11-24(12-15-32)27(35)29-13-16-31-17-19-36-20-18-31/h4-10,24H,11-20H2,1-3H3,(H,29,35).
What are the key properties of 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 490.65 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46358029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).