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

C17H17N7S — CID 122419155

IUPACN-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyrrolidin-1-ylmethyl)-[1,2]thiazolo[4,5-b]pyridin-6-amine
SMILESc1cnc2c(Nc3cnc4c(CN5CCCC5)nsc4c3)n[nH]c2c1
InChIInChI=1S/C17H17N7S/c1-2-7-24(6-1)10-13-15-14(25-23-13)8-11(9-19-15)20-17-16-12(21-22-17)4-3-5-18-16/h3-5,8-9H,1-2,6-7,10H2,(H2,20,21,22)
InChIKeyPYLMSPPPMCIONJ-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.30
Rot. Bonds4

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

N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyrrolidin-1-ylmethyl)-[1,2]thiazolo[4,5-b]pyridin-6-amine (PubChem CID 122419155) has the molecular formula C17H17N7S and a molecular weight of 351.44 g/mol. Its IUPAC name is N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyrrolidin-1-ylmethyl)-[1,2]thiazolo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyrrolidin-1-ylmethyl)-[1,2]thiazolo[4,5-b]pyridin-6-amine
PubChem CID122419155
Molecular FormulaC17H17N7S
Molecular Weight351.44 g/mol
Exact Mass351.13
IUPAC NameN-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyrrolidin-1-ylmethyl)-[1,2]thiazolo[4,5-b]pyridin-6-amine
SMILESc1cnc2c(Nc3cnc4c(CN5CCCC5)nsc4c3)n[nH]c2c1
InChIInChI=1S/C17H17N7S/c1-2-7-24(6-1)10-13-15-14(25-23-13)8-11(9-19-15)20-17-16-12(21-22-17)4-3-5-18-16/h3-5,8-9H,1-2,6-7,10H2,(H2,20,21,22)
InChIKeyPYLMSPPPMCIONJ-UHFFFAOYSA-N
XLogP3.30
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyrrolidin-1-ylmethyl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
The IUPAC name of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyrrolidin-1-ylmethyl)-[1,2]thiazolo[4,5-b]pyridin-6-amine (CID 122419155) is N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyrrolidin-1-ylmethyl)-[1,2]thiazolo[4,5-b]pyridin-6-amine.
What is the SMILES notation for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyrrolidin-1-ylmethyl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
The canonical SMILES for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyrrolidin-1-ylmethyl)-[1,2]thiazolo[4,5-b]pyridin-6-amine is c1cnc2c(Nc3cnc4c(CN5CCCC5)nsc4c3)n[nH]c2c1.
What is the InChIKey of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyrrolidin-1-ylmethyl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
The InChIKey is PYLMSPPPMCIONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7S/c1-2-7-24(6-1)10-13-15-14(25-23-13)8-11(9-19-15)20-17-16-12(21-22-17)4-3-5-18-16/h3-5,8-9H,1-2,6-7,10H2,(H2,20,21,22).
What are the key properties of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyrrolidin-1-ylmethyl)-[1,2]thiazolo[4,5-b]pyridin-6-amine?
N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyrrolidin-1-ylmethyl)-[1,2]thiazolo[4,5-b]pyridin-6-amine has a molecular weight of 351.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyrrolidin-1-ylmethyl)-[1,2]thiazolo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 122419155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).