3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide

C23H23N5O — CID 97446740

IUPAC3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12
InChIInChI=1S/C23H23N5O/c29-23(25-16-17-8-11-24-12-9-17)19-15-22(27-13-4-3-7-21(19)27)20-10-14-28(26-20)18-5-1-2-6-18/h3-4,7-15,18H,1-2,5-6,16H2,(H,25,29)
InChIKeyVKWNYVSINGOFDU-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.24
Rot. Bonds5

About 3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide

3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide (PubChem CID 97446740) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide
PubChem CID97446740
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12
InChIInChI=1S/C23H23N5O/c29-23(25-16-17-8-11-24-12-9-17)19-15-22(27-13-4-3-7-21(19)27)20-10-14-28(26-20)18-5-1-2-6-18/h3-4,7-15,18H,1-2,5-6,16H2,(H,25,29)
InChIKeyVKWNYVSINGOFDU-UHFFFAOYSA-N
XLogP4.24
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide?
The IUPAC name of 3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide (CID 97446740) is 3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide.
What is the SMILES notation for 3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide?
The canonical SMILES for 3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide is O=C(NCc1ccncc1)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12.
What is the InChIKey of 3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide?
The InChIKey is VKWNYVSINGOFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c29-23(25-16-17-8-11-24-12-9-17)19-15-22(27-13-4-3-7-21(19)27)20-10-14-28(26-20)18-5-1-2-6-18/h3-4,7-15,18H,1-2,5-6,16H2,(H,25,29).
What are the key properties of 3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide?
3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide is sourced from PubChem (CID 97446740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).