5-piperidin-3-yl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxamide

C17H18N6OS — CID 167767825

IUPAC5-piperidin-3-yl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1csc(-c2ccncc2)n1)c1cn[nH]c1C1CCCNC1
InChIInChI=1S/C17H18N6OS/c24-16(13-9-20-23-15(13)12-2-1-5-19-8-12)21-14-10-25-17(22-14)11-3-6-18-7-4-11/h3-4,6-7,9-10,12,19H,1-2,5,8H2,(H,20,23)(H,21,24)
InChIKeySHKUHMQPVWUJQU-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.65
Rot. Bonds4

About 5-piperidin-3-yl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxamide

5-piperidin-3-yl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxamide (PubChem CID 167767825) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 5-piperidin-3-yl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-piperidin-3-yl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxamide
PubChem CID167767825
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name5-piperidin-3-yl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1csc(-c2ccncc2)n1)c1cn[nH]c1C1CCCNC1
InChIInChI=1S/C17H18N6OS/c24-16(13-9-20-23-15(13)12-2-1-5-19-8-12)21-14-10-25-17(22-14)11-3-6-18-7-4-11/h3-4,6-7,9-10,12,19H,1-2,5,8H2,(H,20,23)(H,21,24)
InChIKeySHKUHMQPVWUJQU-UHFFFAOYSA-N
XLogP2.65
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride
CID 126780501
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-[6-(1-pyrrolidin-3-ylethoxy)-2-pyridinyl]urea
CID 18771808
morpholin-4-yl-[5-[(3R)-piperidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 98041423
N-piperidin-3-yl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119424673
N-[[4-(piperazin-1-ylmethyl)phenyl]methyl]-5-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide
CID 167774780
1-[6-(2-oxo-2-pyridin-3-yl-1-pyrrolidin-3-ylethoxy)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 18771937
1-[6-[(3-methylimidazol-4-yl)sulfonyl-pyrrolidin-3-ylmethoxy]-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 69411739
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 58824760
4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110257631
N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119460276
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 59922340
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea
CID 10133503

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-3-yl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-piperidin-3-yl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxamide (CID 167767825) is 5-piperidin-3-yl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-piperidin-3-yl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-piperidin-3-yl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxamide is O=C(Nc1csc(-c2ccncc2)n1)c1cn[nH]c1C1CCCNC1.
What is the InChIKey of 5-piperidin-3-yl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is SHKUHMQPVWUJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c24-16(13-9-20-23-15(13)12-2-1-5-19-8-12)21-14-10-25-17(22-14)11-3-6-18-7-4-11/h3-4,6-7,9-10,12,19H,1-2,5,8H2,(H,20,23)(H,21,24).
What are the key properties of 5-piperidin-3-yl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxamide?
5-piperidin-3-yl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-3-yl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 167767825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).