pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone

C15H19N5OS — CID 97381235

IUPACpyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
SMILESO=C(c1n[nH]c2c1CCN(Cc1nccs1)C2)N1CCCC1
InChIInChI=1S/C15H19N5OS/c21-15(20-5-1-2-6-20)14-11-3-7-19(9-12(11)17-18-14)10-13-16-4-8-22-13/h4,8H,1-3,5-7,9-10H2,(H,17,18)
InChIKeyDKRITKWYJRHGOW-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.66
Rot. Bonds3

About pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone

pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone (PubChem CID 97381235) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
PubChem CID97381235
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Namepyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
SMILESO=C(c1n[nH]c2c1CCN(Cc1nccs1)C2)N1CCCC1
InChIInChI=1S/C15H19N5OS/c21-15(20-5-1-2-6-20)14-11-3-7-19(9-12(11)17-18-14)10-13-16-4-8-22-13/h4,8H,1-3,5-7,9-10H2,(H,17,18)
InChIKeyDKRITKWYJRHGOW-UHFFFAOYSA-N
XLogP1.66
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-({5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)-2-(1,3-thiazol-2-yl)piperidine
CID 45176959
2-[1-({5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)-2-pyrrolidinyl]-1,3-thiazole
CID 45188891
N-(2-(thiazol-2-yl)ethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 71705685
(4-Methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 97388961
N,N-dimethyl-6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 97388981
(4-Methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97389001
N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461840
Morpholin-4-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97461908
N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118743183
Pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 118744060
N-(1,3-thiazol-5-ylmethyl)-N-[2-(thiolan-3-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 130313302
5-ethyl-N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 128990918

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone (CID 97381235) is pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone is O=C(c1n[nH]c2c1CCN(Cc1nccs1)C2)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
The InChIKey is DKRITKWYJRHGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c21-15(20-5-1-2-6-20)14-11-3-7-19(9-12(11)17-18-14)10-13-16-4-8-22-13/h4,8H,1-3,5-7,9-10H2,(H,17,18).
What are the key properties of pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone has a molecular weight of 317.42 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone is sourced from PubChem (CID 97381235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).