N-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-2,5-dihydro-1,3-thiazol-4-yl]phenyl]pyridine-3-sulfonamide

C30H32N8O3S2 — CID 91041594

IUPACN-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-2,5-dihydro-1,3-thiazol-4-yl]phenyl]pyridine-3-sulfonamide
SMILESCC(C)C1N=C(c2cccc(NS(=O)(=O)c3cccnc3)c2)C(c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)S1
InChIInChI=1S/C30H32N8O3S2/c1-20(2)29-36-27(21-5-3-6-22(17-21)37-43(39,40)24-7-4-11-31-19-24)28(42-29)25-10-12-32-30(35-25)34-23-8-9-26(33-18-23)38-13-15-41-16-14-38/h3-12,17-20,28-29,37H,13-16H2,1-2H3,(H,32,34,35)
InChIKeyNGDDOFAUBBKZPL-UHFFFAOYSA-N
MW616.77 g/mol
LogP4.91
Rot. Bonds9

About N-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-2,5-dihydro-1,3-thiazol-4-yl]phenyl]pyridine-3-sulfonamide

N-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-2,5-dihydro-1,3-thiazol-4-yl]phenyl]pyridine-3-sulfonamide (PubChem CID 91041594) has the molecular formula C30H32N8O3S2 and a molecular weight of 616.77 g/mol. Its IUPAC name is N-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-2,5-dihydro-1,3-thiazol-4-yl]phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-2,5-dihydro-1,3-thiazol-4-yl]phenyl]pyridine-3-sulfonamide
PubChem CID91041594
Molecular FormulaC30H32N8O3S2
Molecular Weight616.77 g/mol
Exact Mass616.20
IUPAC NameN-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-2,5-dihydro-1,3-thiazol-4-yl]phenyl]pyridine-3-sulfonamide
SMILESCC(C)C1N=C(c2cccc(NS(=O)(=O)c3cccnc3)c2)C(c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)S1
InChIInChI=1S/C30H32N8O3S2/c1-20(2)29-36-27(21-5-3-6-22(17-21)37-43(39,40)24-7-4-11-31-19-24)28(42-29)25-10-12-32-30(35-25)34-23-8-9-26(33-18-23)38-13-15-41-16-14-38/h3-12,17-20,28-29,37H,13-16H2,1-2H3,(H,32,34,35)
InChIKeyNGDDOFAUBBKZPL-UHFFFAOYSA-N
XLogP4.91
TPSA134.59 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-2,5-dihydro-1,3-thiazol-4-yl]phenyl]pyridine-3-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[5-[2-[[6-(azepan-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzenesulfonamide
CID 58575867
N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 175733112
3,5-dichloro-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide
CID 25044149
8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118163034
2,6-difluoro-N-[2-fluoro-5-[2-morpholin-4-yl-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 58575912
3,4-dimethoxy-N-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]benzenesulfinamide
CID 90756190
1-[3-[2-(ethylamino)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanol
CID 89199107
6-morpholin-4-yl-N-propan-2-ylpyridine-3-sulfonamide
CID 58525227
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-sulfonamide
CID 7151318
2,6-difluoro-N-[2-fluoro-5-[2-(4-methylpiperazin-1-yl)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 58575785
N-(3-pyrrolidin-1-ylphenyl)pyridine-3-sulfonamide
CID 75370822
N-(6-morpholin-4-yl-3-pyridinyl)ethanesulfonamide
CID 53016560

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-2,5-dihydro-1,3-thiazol-4-yl]phenyl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-2,5-dihydro-1,3-thiazol-4-yl]phenyl]pyridine-3-sulfonamide (CID 91041594) is N-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-2,5-dihydro-1,3-thiazol-4-yl]phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-2,5-dihydro-1,3-thiazol-4-yl]phenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-2,5-dihydro-1,3-thiazol-4-yl]phenyl]pyridine-3-sulfonamide is CC(C)C1N=C(c2cccc(NS(=O)(=O)c3cccnc3)c2)C(c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)S1.
What is the InChIKey of N-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-2,5-dihydro-1,3-thiazol-4-yl]phenyl]pyridine-3-sulfonamide?
The InChIKey is NGDDOFAUBBKZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O3S2/c1-20(2)29-36-27(21-5-3-6-22(17-21)37-43(39,40)24-7-4-11-31-19-24)28(42-29)25-10-12-32-30(35-25)34-23-8-9-26(33-18-23)38-13-15-41-16-14-38/h3-12,17-20,28-29,37H,13-16H2,1-2H3,(H,32,34,35).
What are the key properties of N-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-2,5-dihydro-1,3-thiazol-4-yl]phenyl]pyridine-3-sulfonamide?
N-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-2,5-dihydro-1,3-thiazol-4-yl]phenyl]pyridine-3-sulfonamide has a molecular weight of 616.77 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-2,5-dihydro-1,3-thiazol-4-yl]phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 91041594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).