N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

C18H17N7OS — CID 87945541

IUPACN-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESc1cc(N2CCOCC2)cc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)n1
InChIInChI=1S/C18H17N7OS/c1-2-15-17(22-14(1)12-10-20-21-11-12)27-18(23-15)24-16-9-13(3-4-19-16)25-5-7-26-8-6-25/h1-4,9-11H,5-8H2,(H,20,21)(H,19,23,24)
InChIKeyGUSKURFZQMOFOS-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.06
Rot. Bonds4

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

N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 87945541) has the molecular formula C18H17N7OS and a molecular weight of 379.45 g/mol. Its IUPAC name is N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID87945541
Molecular FormulaC18H17N7OS
Molecular Weight379.45 g/mol
Exact Mass379.12
IUPAC NameN-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESc1cc(N2CCOCC2)cc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)n1
InChIInChI=1S/C18H17N7OS/c1-2-15-17(22-14(1)12-10-20-21-11-12)27-18(23-15)24-16-9-13(3-4-19-16)25-5-7-26-8-6-25/h1-4,9-11H,5-8H2,(H,20,21)(H,19,23,24)
InChIKeyGUSKURFZQMOFOS-UHFFFAOYSA-N
XLogP3.06
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 87945541) is N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is c1cc(N2CCOCC2)cc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)n1.
What is the InChIKey of N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is GUSKURFZQMOFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7OS/c1-2-15-17(22-14(1)12-10-20-21-11-12)27-18(23-15)24-16-9-13(3-4-19-16)25-5-7-26-8-6-25/h1-4,9-11H,5-8H2,(H,20,21)(H,19,23,24).
What are the key properties of N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 379.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 87945541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).