4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrole-2-carboxamide

C24H26N6OS — CID 135368594

IUPAC4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrole-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3cn[nH]c3)cc2)n(Cc2csc(N3CCCCC3)n2)c1
InChIInChI=1S/C24H26N6OS/c1-17-11-22(23(31)27-20-7-5-18(6-8-20)19-12-25-26-13-19)30(14-17)15-21-16-32-24(28-21)29-9-3-2-4-10-29/h5-8,11-14,16H,2-4,9-10,15H2,1H3,(H,25,26)(H,27,31)
InChIKeyHBYKJNMFIPWPHO-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.93
Rot. Bonds6

About 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrole-2-carboxamide

4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrole-2-carboxamide (PubChem CID 135368594) has the molecular formula C24H26N6OS and a molecular weight of 446.58 g/mol. Its IUPAC name is 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrole-2-carboxamide
PubChem CID135368594
Molecular FormulaC24H26N6OS
Molecular Weight446.58 g/mol
Exact Mass446.19
IUPAC Name4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrole-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3cn[nH]c3)cc2)n(Cc2csc(N3CCCCC3)n2)c1
InChIInChI=1S/C24H26N6OS/c1-17-11-22(23(31)27-20-7-5-18(6-8-20)19-12-25-26-13-19)30(14-17)15-21-16-32-24(28-21)29-9-3-2-4-10-29/h5-8,11-14,16H,2-4,9-10,15H2,1H3,(H,25,26)(H,27,31)
InChIKeyHBYKJNMFIPWPHO-UHFFFAOYSA-N
XLogP4.93
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrole-2-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 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrole-2-carboxamide (CID 135368594) is 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrole-2-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3cn[nH]c3)cc2)n(Cc2csc(N3CCCCC3)n2)c1.
What is the InChIKey of 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrole-2-carboxamide?
The InChIKey is HBYKJNMFIPWPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6OS/c1-17-11-22(23(31)27-20-7-5-18(6-8-20)19-12-25-26-13-19)30(14-17)15-21-16-32-24(28-21)29-9-3-2-4-10-29/h5-8,11-14,16H,2-4,9-10,15H2,1H3,(H,25,26)(H,27,31).
What are the key properties of 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrole-2-carboxamide?
4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrole-2-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 135368594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).