6-morpholin-4-yl-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide

C27H22N6O2S — CID 58101566

IUPAC6-morpholin-4-yl-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H22N6O2S/c34-25(30-20-10-5-4-9-19(20)26-31-21-11-6-12-28-27(21)36-26)22-17-23(33-13-15-35-16-14-33)32-24(29-22)18-7-2-1-3-8-18/h1-12,17H,13-16H2,(H,30,34)
InChIKeyWCVPZKRIDPBEKR-UHFFFAOYSA-N
MW494.58 g/mol
LogP4.90
Rot. Bonds5

About 6-morpholin-4-yl-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide

6-morpholin-4-yl-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide (PubChem CID 58101566) has the molecular formula C27H22N6O2S and a molecular weight of 494.58 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-yl-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
PubChem CID58101566
Molecular FormulaC27H22N6O2S
Molecular Weight494.58 g/mol
Exact Mass494.15
IUPAC Name6-morpholin-4-yl-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H22N6O2S/c34-25(30-20-10-5-4-9-19(20)26-31-21-11-6-12-28-27(21)36-26)22-17-23(33-13-15-35-16-14-33)32-24(29-22)18-7-2-1-3-8-18/h1-12,17H,13-16H2,(H,30,34)
InChIKeyWCVPZKRIDPBEKR-UHFFFAOYSA-N
XLogP4.90
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-morpholin-4-yl-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide (CID 58101566) is 6-morpholin-4-yl-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-morpholin-4-yl-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-morpholin-4-yl-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide is O=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(N2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-morpholin-4-yl-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is WCVPZKRIDPBEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O2S/c34-25(30-20-10-5-4-9-19(20)26-31-21-11-6-12-28-27(21)36-26)22-17-23(33-13-15-35-16-14-33)32-24(29-22)18-7-2-1-3-8-18/h1-12,17H,13-16H2,(H,30,34).
What are the key properties of 6-morpholin-4-yl-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
6-morpholin-4-yl-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 494.58 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 58101566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).