N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C29H29N7OS — CID 59209497

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)n(-c2ncccc2NC(=O)c2csc(C3CCN(Cc4ccc5ccccc5n4)CC3)n2)n1
InChIInChI=1S/C29H29N7OS/c1-19-16-20(2)36(34-19)27-25(8-5-13-30-27)32-28(37)26-18-38-29(33-26)22-11-14-35(15-12-22)17-23-10-9-21-6-3-4-7-24(21)31-23/h3-10,13,16,18,22H,11-12,14-15,17H2,1-2H3,(H,32,37)
InChIKeyPCGIKYBQSRGUTB-UHFFFAOYSA-N
MW523.67 g/mol
LogP5.52
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 59209497) has the molecular formula C29H29N7OS and a molecular weight of 523.67 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID59209497
Molecular FormulaC29H29N7OS
Molecular Weight523.67 g/mol
Exact Mass523.22
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)n(-c2ncccc2NC(=O)c2csc(C3CCN(Cc4ccc5ccccc5n4)CC3)n2)n1
InChIInChI=1S/C29H29N7OS/c1-19-16-20(2)36(34-19)27-25(8-5-13-30-27)32-28(37)26-18-38-29(33-26)22-11-14-35(15-12-22)17-23-10-9-21-6-3-4-7-24(21)31-23/h3-10,13,16,18,22H,11-12,14-15,17H2,1-2H3,(H,32,37)
InChIKeyPCGIKYBQSRGUTB-UHFFFAOYSA-N
XLogP5.52
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.67
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-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 N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 59209497) is N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is Cc1cc(C)n(-c2ncccc2NC(=O)c2csc(C3CCN(Cc4ccc5ccccc5n4)CC3)n2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is PCGIKYBQSRGUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7OS/c1-19-16-20(2)36(34-19)27-25(8-5-13-30-27)32-28(37)26-18-38-29(33-26)22-11-14-35(15-12-22)17-23-10-9-21-6-3-4-7-24(21)31-23/h3-10,13,16,18,22H,11-12,14-15,17H2,1-2H3,(H,32,37).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 523.67 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59209497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).