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

C17H17N7OS — CID 122419075

IUPAC3-(morpholin-4-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine
SMILESc1cnc2n[nH]c(Nc3cnc4c(CN5CCOCC5)nsc4c3)c2c1
InChIInChI=1S/C17H17N7OS/c1-2-12-16(18-3-1)21-22-17(12)20-11-8-14-15(19-9-11)13(23-26-14)10-24-4-6-25-7-5-24/h1-3,8-9H,4-7,10H2,(H2,18,20,21,22)
InChIKeyPXBAICMVSDYITR-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.54
Rot. Bonds4

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

3-(morpholin-4-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine (PubChem CID 122419075) has the molecular formula C17H17N7OS and a molecular weight of 367.44 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine
PubChem CID122419075
Molecular FormulaC17H17N7OS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC Name3-(morpholin-4-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine
SMILESc1cnc2n[nH]c(Nc3cnc4c(CN5CCOCC5)nsc4c3)c2c1
InChIInChI=1S/C17H17N7OS/c1-2-12-16(18-3-1)21-22-17(12)20-11-8-14-15(19-9-11)13(23-26-14)10-24-4-6-25-7-5-24/h1-3,8-9H,4-7,10H2,(H2,18,20,21,22)
InChIKeyPXBAICMVSDYITR-UHFFFAOYSA-N
XLogP2.54
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
The IUPAC name of 3-(morpholin-4-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine (CID 122419075) is 3-(morpholin-4-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine is c1cnc2n[nH]c(Nc3cnc4c(CN5CCOCC5)nsc4c3)c2c1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
The InChIKey is PXBAICMVSDYITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7OS/c1-2-12-16(18-3-1)21-22-17(12)20-11-8-14-15(19-9-11)13(23-26-14)10-24-4-6-25-7-5-24/h1-3,8-9H,4-7,10H2,(H2,18,20,21,22).
What are the key properties of 3-(morpholin-4-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
3-(morpholin-4-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine has a molecular weight of 367.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 122419075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).