N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide

C23H23N7OS — CID 56724679

IUPACN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)C3CCCN(c4cc(-n5cccn5)ncn4)C3)c2)cs1
InChIInChI=1S/C23H23N7OS/c1-16-27-20(14-32-16)17-5-2-7-19(11-17)28-23(31)18-6-3-9-29(13-18)21-12-22(25-15-24-21)30-10-4-8-26-30/h2,4-5,7-8,10-12,14-15,18H,3,6,9,13H2,1H3,(H,28,31)
InChIKeyUDXLPBZPGGCZMS-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.95
Rot. Bonds5

About N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 56724679) has the molecular formula C23H23N7OS and a molecular weight of 445.55 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID56724679
Molecular FormulaC23H23N7OS
Molecular Weight445.55 g/mol
Exact Mass445.17
IUPAC NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)C3CCCN(c4cc(-n5cccn5)ncn4)C3)c2)cs1
InChIInChI=1S/C23H23N7OS/c1-16-27-20(14-32-16)17-5-2-7-19(11-17)28-23(31)18-6-3-9-29(13-18)21-12-22(25-15-24-21)30-10-4-8-26-30/h2,4-5,7-8,10-12,14-15,18H,3,6,9,13H2,1H3,(H,28,31)
InChIKeyUDXLPBZPGGCZMS-UHFFFAOYSA-N
XLogP3.95
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (CID 56724679) is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is Cc1nc(-c2cccc(NC(=O)C3CCCN(c4cc(-n5cccn5)ncn4)C3)c2)cs1.
What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is UDXLPBZPGGCZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7OS/c1-16-27-20(14-32-16)17-5-2-7-19(11-17)28-23(31)18-6-3-9-29(13-18)21-12-22(25-15-24-21)30-10-4-8-26-30/h2,4-5,7-8,10-12,14-15,18H,3,6,9,13H2,1H3,(H,28,31).
What are the key properties of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 445.55 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 56724679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).