N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

C17H18ClN5OS — CID 44816673

IUPACN-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESNC1CCCC(NC(=O)c2nc(-c3cnn4ccccc34)c(Cl)s2)C1
InChIInChI=1S/C17H18ClN5OS/c18-15-14(12-9-20-23-7-2-1-6-13(12)23)22-17(25-15)16(24)21-11-5-3-4-10(19)8-11/h1-2,6-7,9-11H,3-5,8,19H2,(H,21,24)
InChIKeyBZXXNTSCCAUQIX-UHFFFAOYSA-N
MW375.89 g/mol
LogP3.11
Rot. Bonds3

About N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (PubChem CID 44816673) has the molecular formula C17H18ClN5OS and a molecular weight of 375.89 g/mol. Its IUPAC name is N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
PubChem CID44816673
Molecular FormulaC17H18ClN5OS
Molecular Weight375.89 g/mol
Exact Mass375.09
IUPAC NameN-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESNC1CCCC(NC(=O)c2nc(-c3cnn4ccccc34)c(Cl)s2)C1
InChIInChI=1S/C17H18ClN5OS/c18-15-14(12-9-20-23-7-2-1-6-13(12)23)22-17(25-15)16(24)21-11-5-3-4-10(19)8-11/h1-2,6-7,9-11H,3-5,8,19H2,(H,21,24)
InChIKeyBZXXNTSCCAUQIX-UHFFFAOYSA-N
XLogP3.11
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.89
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-cyano-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 132229917
N-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 132229964
N-[2-chloro-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 132229974
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 45180288
2-((2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl)thio)-N-(4-fluorobenzyl)acetamide
CID 27549068
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 42956259
2-{[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thio}-N-(4-methylbenzyl)acetamide
CID 27371672
N-Cyclopentyl-2-{[2-(4-methylphenyl)pyrazolo[1,5-A]pyrazin-4-YL]sulfanyl}acetamide
CID 27509317
2-{[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}-N-cyclopentylacetamide
CID 27549499
2-{[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide
CID 27558188
N-cyclohexyl-2-({2-phenylpyrazolo[1,5-a]pyrazin-4-yl}sulfanyl)acetamide
CID 27564767
N-(2-chlorobenzyl)-2-[(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)thio]acetamide
CID 27564772

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (CID 44816673) is N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is NC1CCCC(NC(=O)c2nc(-c3cnn4ccccc34)c(Cl)s2)C1.
What is the InChIKey of N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The InChIKey is BZXXNTSCCAUQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5OS/c18-15-14(12-9-20-23-7-2-1-6-13(12)23)22-17(25-15)16(24)21-11-5-3-4-10(19)8-11/h1-2,6-7,9-11H,3-5,8,19H2,(H,21,24).
What are the key properties of N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide has a molecular weight of 375.89 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 44816673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).