N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-6-(1,2-thiazol-4-yl)pyridine-2-carboxamide

C25H27N7OS — CID 167509025

IUPACN-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-6-(1,2-thiazol-4-yl)pyridine-2-carboxamide
SMILESCC(C)N1CCC(c2cc(NC(=O)c3cccc(-c4cnsc4)n3)n(-c3ccccn3)n2)CC1
InChIInChI=1S/C25H27N7OS/c1-17(2)31-12-9-18(10-13-31)22-14-24(32(30-22)23-8-3-4-11-26-23)29-25(33)21-7-5-6-20(28-21)19-15-27-34-16-19/h3-8,11,14-18H,9-10,12-13H2,1-2H3,(H,29,33)
InChIKeyFPFPUHXEIGSTCH-UHFFFAOYSA-N
MW473.61 g/mol
LogP4.63
Rot. Bonds6

About N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-6-(1,2-thiazol-4-yl)pyridine-2-carboxamide

N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-6-(1,2-thiazol-4-yl)pyridine-2-carboxamide (PubChem CID 167509025) has the molecular formula C25H27N7OS and a molecular weight of 473.61 g/mol. Its IUPAC name is N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-6-(1,2-thiazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-6-(1,2-thiazol-4-yl)pyridine-2-carboxamide
PubChem CID167509025
Molecular FormulaC25H27N7OS
Molecular Weight473.61 g/mol
Exact Mass473.20
IUPAC NameN-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-6-(1,2-thiazol-4-yl)pyridine-2-carboxamide
SMILESCC(C)N1CCC(c2cc(NC(=O)c3cccc(-c4cnsc4)n3)n(-c3ccccn3)n2)CC1
InChIInChI=1S/C25H27N7OS/c1-17(2)31-12-9-18(10-13-31)22-14-24(32(30-22)23-8-3-4-11-26-23)29-25(33)21-7-5-6-20(28-21)19-15-27-34-16-19/h3-8,11,14-18H,9-10,12-13H2,1-2H3,(H,29,33)
InChIKeyFPFPUHXEIGSTCH-UHFFFAOYSA-N
XLogP4.63
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.61
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-piperazin-1-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide
CID 167509028
6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane
CID 167509034
6-cyano-N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyridine-2-carboxamide
CID 167509042
N-[1-(5-methyl-2-pyridinyl)-3-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-5-yl]pyridine-2-carboxamide
CID 167509023
N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
CID 86292051
N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 158889910
N-[1-(5-formyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66556296
N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide
CID 140701990
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)cyclopropanecarboxamide
CID 3966984
1-[5-[(5-chlorothiophen-2-yl)methylamino]-3-[1-(2,2,2-trifluoro-1-pyridin-2-ylethyl)piperidin-4-yl]pyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 164945145
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 56551244
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 46491382

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-6-(1,2-thiazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-6-(1,2-thiazol-4-yl)pyridine-2-carboxamide (CID 167509025) is N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-6-(1,2-thiazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-6-(1,2-thiazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-6-(1,2-thiazol-4-yl)pyridine-2-carboxamide is CC(C)N1CCC(c2cc(NC(=O)c3cccc(-c4cnsc4)n3)n(-c3ccccn3)n2)CC1.
What is the InChIKey of N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-6-(1,2-thiazol-4-yl)pyridine-2-carboxamide?
The InChIKey is FPFPUHXEIGSTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7OS/c1-17(2)31-12-9-18(10-13-31)22-14-24(32(30-22)23-8-3-4-11-26-23)29-25(33)21-7-5-6-20(28-21)19-15-27-34-16-19/h3-8,11,14-18H,9-10,12-13H2,1-2H3,(H,29,33).
What are the key properties of N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-6-(1,2-thiazol-4-yl)pyridine-2-carboxamide?
N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-6-(1,2-thiazol-4-yl)pyridine-2-carboxamide has a molecular weight of 473.61 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-6-(1,2-thiazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 167509025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).