[(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol

C17H20ClN5OS — CID 143938801

IUPAC[(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol
SMILESNC1CCCC(NC(O)c2nc(-c3cnn4ccccc34)c(Cl)s2)C1
InChIInChI=1S/C17H20ClN5OS/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/h1-2,6-7,9-11,16,21,24H,3-5,8,19H2
InChIKeyCGYZWXCTJGEWBQ-UHFFFAOYSA-N
MW377.90 g/mol
LogP2.96
Rot. Bonds4

About [(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol

[(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol (PubChem CID 143938801) has the molecular formula C17H20ClN5OS and a molecular weight of 377.90 g/mol. Its IUPAC name is [(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name[(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol
PubChem CID143938801
Molecular FormulaC17H20ClN5OS
Molecular Weight377.90 g/mol
Exact Mass377.11
IUPAC Name[(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol
SMILESNC1CCCC(NC(O)c2nc(-c3cnn4ccccc34)c(Cl)s2)C1
InChIInChI=1S/C17H20ClN5OS/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/h1-2,6-7,9-11,16,21,24H,3-5,8,19H2
InChIKeyCGYZWXCTJGEWBQ-UHFFFAOYSA-N
XLogP2.96
TPSA88.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol?
The IUPAC name of [(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol (CID 143938801) is [(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for [(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for [(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol is NC1CCCC(NC(O)c2nc(-c3cnn4ccccc34)c(Cl)s2)C1.
What is the InChIKey of [(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol?
The InChIKey is CGYZWXCTJGEWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5OS/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/h1-2,6-7,9-11,16,21,24H,3-5,8,19H2.
What are the key properties of [(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol?
[(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol has a molecular weight of 377.90 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 143938801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).