4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine

C32H33N7O4S2 — CID 58575772

IUPAC4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
SMILESCOc1ccc(S(=O)(=O)Cc2cccc(-c3nc(C(C)C)sc3-c3ccnc(Nc4ccc(N5CCOCC5)nc4)n3)c2)cn1
InChIInChI=1S/C32H33N7O4S2/c1-21(2)31-38-29(23-6-4-5-22(17-23)20-45(40,41)25-8-10-28(42-3)35-19-25)30(44-31)26-11-12-33-32(37-26)36-24-7-9-27(34-18-24)39-13-15-43-16-14-39/h4-12,17-19,21H,13-16,20H2,1-3H3,(H,33,36,37)
InChIKeyBBYADVXJWDZSLM-UHFFFAOYSA-N
MW643.80 g/mol
LogP5.74
Rot. Bonds10

About 4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine

4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine (PubChem CID 58575772) has the molecular formula C32H33N7O4S2 and a molecular weight of 643.80 g/mol. Its IUPAC name is 4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
PubChem CID58575772
Molecular FormulaC32H33N7O4S2
Molecular Weight643.80 g/mol
Exact Mass643.20
IUPAC Name4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
SMILESCOc1ccc(S(=O)(=O)Cc2cccc(-c3nc(C(C)C)sc3-c3ccnc(Nc4ccc(N5CCOCC5)nc4)n3)c2)cn1
InChIInChI=1S/C32H33N7O4S2/c1-21(2)31-38-29(23-6-4-5-22(17-23)20-45(40,41)25-8-10-28(42-3)35-19-25)30(44-31)26-11-12-33-32(37-26)36-24-7-9-27(34-18-24)39-13-15-43-16-14-39/h4-12,17-19,21H,13-16,20H2,1-3H3,(H,33,36,37)
InChIKeyBBYADVXJWDZSLM-UHFFFAOYSA-N
XLogP5.74
TPSA132.32 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500643.80
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine 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

2,4-difluoro-N-[2-methoxy-5-(7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide
CID 162371678
5-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57867459
N-[2-methoxy-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]methanesulfonamide
CID 122178117
2,4-difluoro-N-[2-methoxy-5-[7-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 162371654
2,4-difluoro-N-[2-methoxy-5-[7-(4-methoxypiperidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 162371656
N-[5-[7-(2,6-dimethylmorpholin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 162371664
2,4-difluoro-N-[2-methoxy-5-[7-[(3R)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 162371681
2,4-difluoro-N-[2-methoxy-5-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 162371682
2,4-difluoro-N-[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 162371696
2,4-difluoro-N-[2-methoxy-5-(7-piperidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide
CID 162371697
N-[5-[2-(4-ethyl-6-morpholin-4-ylpyrimidin-5-yl)ethynyl]-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide
CID 60141900
N-[2-Methoxy-5-(4-methyl-6-morpholin-4-yl-pyrimidin-5-ylethynyl)-pyridin-3-yl]-thiophene-2-sulfonamide
CID 60142046

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine (CID 58575772) is 4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine is COc1ccc(S(=O)(=O)Cc2cccc(-c3nc(C(C)C)sc3-c3ccnc(Nc4ccc(N5CCOCC5)nc4)n3)c2)cn1.
What is the InChIKey of 4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is BBYADVXJWDZSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7O4S2/c1-21(2)31-38-29(23-6-4-5-22(17-23)20-45(40,41)25-8-10-28(42-3)35-19-25)30(44-31)26-11-12-33-32(37-26)36-24-7-9-27(34-18-24)39-13-15-43-16-14-39/h4-12,17-19,21H,13-16,20H2,1-3H3,(H,33,36,37).
What are the key properties of 4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 643.80 g/mol, XLogP of 5.74, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 58575772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).