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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)phenyl)(4-methylpiperazin-1-yl)methanone
CID 25109378
N2-(1-Acryloyl-4-piperidinyl)-6-(4-morpholinylmethyl)-N4-[1,3]thiazolo[5,4-b]pyridin-2-yl-2,4-pyrimidinediamine (3)
CID 56940983
2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 25265679
4-Methyl-2-phenyl-thiazole-5-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 36145850
(3-(2-(2-Aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)phenyl)(4-methylpiperazin-1-yl)methanone
CID 46886410
6-[[(2R)-2,3-dihydroxypropyl]amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101565
2-[4-[2-(2-Ethylbenzimidazol-1-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]-2-methylpropanamide
CID 59606123
6'-Amino-N-[2-(4-morpholinyl)-6-benzothiazolyl][2,3'-bipyridine]-6-carboxamide
CID 71506869
US20240025893, Example b-04-41
CID 170674729
(S)-1-(3-((4-(Morpholinomethyl)-6-(thiazolo[5,4-b]pyridin-2-ylamino)pyridin-2-yl)amino)pyrrolidin-1-yl)propan-1-one (15)
CID 56941722
N-(cis-2-{[4-(4-Morpholinylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyrimidinyl]amino}cyclohexyl)-2-propenamide (4)
CID 124201736
N-(cis-3-{[4-(4-Morpholinylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyrimidinyl]amino}cyclohexyl)-2-propenamide (6)
CID 124201737

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).