3-(piperidin-1-ylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine

C18H19N7S — CID 134194983

IUPAC3-(piperidin-1-ylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine
SMILESc1cnc2c(Nc3cnc4c(CN5CCCCC5)nsc4c3)n[nH]c2c1
InChIInChI=1S/C18H19N7S/c1-2-7-25(8-3-1)11-14-16-15(26-24-14)9-12(10-20-16)21-18-17-13(22-23-18)5-4-6-19-17/h4-6,9-10H,1-3,7-8,11H2,(H2,21,22,23)
InChIKeyNZFNCNXUSRLQIX-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.69
Rot. Bonds4

About 3-(piperidin-1-ylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine

3-(piperidin-1-ylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine (PubChem CID 134194983) has the molecular formula C18H19N7S and a molecular weight of 365.47 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine
PubChem CID134194983
Molecular FormulaC18H19N7S
Molecular Weight365.47 g/mol
Exact Mass365.14
IUPAC Name3-(piperidin-1-ylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine
SMILESc1cnc2c(Nc3cnc4c(CN5CCCCC5)nsc4c3)n[nH]c2c1
InChIInChI=1S/C18H19N7S/c1-2-7-25(8-3-1)11-14-16-15(26-24-14)9-12(10-20-16)21-18-17-13(22-23-18)5-4-6-19-17/h4-6,9-10H,1-3,7-8,11H2,(H2,21,22,23)
InChIKeyNZFNCNXUSRLQIX-UHFFFAOYSA-N
XLogP3.69
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
The IUPAC name of 3-(piperidin-1-ylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine (CID 134194983) is 3-(piperidin-1-ylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
The canonical SMILES for 3-(piperidin-1-ylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine is c1cnc2c(Nc3cnc4c(CN5CCCCC5)nsc4c3)n[nH]c2c1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
The InChIKey is NZFNCNXUSRLQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7S/c1-2-7-25(8-3-1)11-14-16-15(26-24-14)9-12(10-20-16)21-18-17-13(22-23-18)5-4-6-19-17/h4-6,9-10H,1-3,7-8,11H2,(H2,21,22,23).
What are the key properties of 3-(piperidin-1-ylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
3-(piperidin-1-ylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine has a molecular weight of 365.47 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 134194983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).