3-(2-cyclopentylpyrazol-3-yl)-N-[2-(dimethylamino)ethyl]indolizine-1-carboxamide

C21H27N5O — CID 97446780

IUPAC3-(2-cyclopentylpyrazol-3-yl)-N-[2-(dimethylamino)ethyl]indolizine-1-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccnn2C2CCCC2)n2ccccc12
InChIInChI=1S/C21H27N5O/c1-24(2)14-12-22-21(27)17-15-20(25-13-6-5-9-18(17)25)19-10-11-23-26(19)16-7-3-4-8-16/h5-6,9-11,13,15-16H,3-4,7-8,12,14H2,1-2H3,(H,22,27)
InChIKeyZYEMJWCRLJYSBB-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.21
Rot. Bonds6

About 3-(2-cyclopentylpyrazol-3-yl)-N-[2-(dimethylamino)ethyl]indolizine-1-carboxamide

3-(2-cyclopentylpyrazol-3-yl)-N-[2-(dimethylamino)ethyl]indolizine-1-carboxamide (PubChem CID 97446780) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-(2-cyclopentylpyrazol-3-yl)-N-[2-(dimethylamino)ethyl]indolizine-1-carboxamide.

Molecular Properties

Compound Name3-(2-cyclopentylpyrazol-3-yl)-N-[2-(dimethylamino)ethyl]indolizine-1-carboxamide
PubChem CID97446780
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name3-(2-cyclopentylpyrazol-3-yl)-N-[2-(dimethylamino)ethyl]indolizine-1-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccnn2C2CCCC2)n2ccccc12
InChIInChI=1S/C21H27N5O/c1-24(2)14-12-22-21(27)17-15-20(25-13-6-5-9-18(17)25)19-10-11-23-26(19)16-7-3-4-8-16/h5-6,9-11,13,15-16H,3-4,7-8,12,14H2,1-2H3,(H,22,27)
InChIKeyZYEMJWCRLJYSBB-UHFFFAOYSA-N
XLogP3.21
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-cyclopentylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155851791
3-(2-cyclopentylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155855527
N-[2-(dimethylamino)ethyl]-3-(1-phenylpyrazol-3-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155850650
3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide
CID 97446740
N-[2-(dimethylamino)ethyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069570
1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067130
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 109069614
1-N-[2-(dimethylamino)ethyl]-3-N-(4-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069629
3-N-(4-chlorophenyl)-1-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069632
3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide
CID 66667040
N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892553
1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069638

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylpyrazol-3-yl)-N-[2-(dimethylamino)ethyl]indolizine-1-carboxamide?
The IUPAC name of 3-(2-cyclopentylpyrazol-3-yl)-N-[2-(dimethylamino)ethyl]indolizine-1-carboxamide (CID 97446780) is 3-(2-cyclopentylpyrazol-3-yl)-N-[2-(dimethylamino)ethyl]indolizine-1-carboxamide.
What is the SMILES notation for 3-(2-cyclopentylpyrazol-3-yl)-N-[2-(dimethylamino)ethyl]indolizine-1-carboxamide?
The canonical SMILES for 3-(2-cyclopentylpyrazol-3-yl)-N-[2-(dimethylamino)ethyl]indolizine-1-carboxamide is CN(C)CCNC(=O)c1cc(-c2ccnn2C2CCCC2)n2ccccc12.
What is the InChIKey of 3-(2-cyclopentylpyrazol-3-yl)-N-[2-(dimethylamino)ethyl]indolizine-1-carboxamide?
The InChIKey is ZYEMJWCRLJYSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-24(2)14-12-22-21(27)17-15-20(25-13-6-5-9-18(17)25)19-10-11-23-26(19)16-7-3-4-8-16/h5-6,9-11,13,15-16H,3-4,7-8,12,14H2,1-2H3,(H,22,27).
What are the key properties of 3-(2-cyclopentylpyrazol-3-yl)-N-[2-(dimethylamino)ethyl]indolizine-1-carboxamide?
3-(2-cyclopentylpyrazol-3-yl)-N-[2-(dimethylamino)ethyl]indolizine-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylpyrazol-3-yl)-N-[2-(dimethylamino)ethyl]indolizine-1-carboxamide is sourced from PubChem (CID 97446780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).