N-ethyl-N-[3-[2-[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethenyl]-2-pyridinyl]methanesulfonamide

C27H31N7O4S — CID 66980872

IUPACN-ethyl-N-[3-[2-[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethenyl]-2-pyridinyl]methanesulfonamide
SMILESCCN(c1ncccc1C=Cc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2[nH]ccc12)S(C)(=O)=O
InChIInChI=1S/C27H31N7O4S/c1-4-34(39(3,35)36)26-19(6-5-12-29-26)7-9-22-21-11-13-28-25(21)32-27(30-22)31-23-10-8-20(18-24(23)37-2)33-14-16-38-17-15-33/h5-13,18H,4,14-17H2,1-3H3,(H2,28,30,31,32)
InChIKeyVWOVWALKEDINAK-UHFFFAOYSA-N
MW549.66 g/mol
LogP3.90
Rot. Bonds9

About N-ethyl-N-[3-[2-[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethenyl]-2-pyridinyl]methanesulfonamide

N-ethyl-N-[3-[2-[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethenyl]-2-pyridinyl]methanesulfonamide (PubChem CID 66980872) has the molecular formula C27H31N7O4S and a molecular weight of 549.66 g/mol. Its IUPAC name is N-ethyl-N-[3-[2-[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethenyl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[2-[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethenyl]-2-pyridinyl]methanesulfonamide
PubChem CID66980872
Molecular FormulaC27H31N7O4S
Molecular Weight549.66 g/mol
Exact Mass549.22
IUPAC NameN-ethyl-N-[3-[2-[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethenyl]-2-pyridinyl]methanesulfonamide
SMILESCCN(c1ncccc1C=Cc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2[nH]ccc12)S(C)(=O)=O
InChIInChI=1S/C27H31N7O4S/c1-4-34(39(3,35)36)26-19(6-5-12-29-26)7-9-22-21-11-13-28-25(21)32-27(30-22)31-23-10-8-20(18-24(23)37-2)33-14-16-38-17-15-33/h5-13,18H,4,14-17H2,1-3H3,(H2,28,30,31,32)
InChIKeyVWOVWALKEDINAK-UHFFFAOYSA-N
XLogP3.90
TPSA125.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.66
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-ethyl-N-[3-[2-[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethenyl]-2-pyridinyl]methanesulfonamide 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

4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 155524460
4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
CID 166865553
1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol
CID 118713007
2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-ethyl-N-methylbenzenesulfonamide
CID 11656686
N-(2-methoxy-4-morpholin-4-ylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865823
6-N-(2-ethoxy-4-morpholin-4-ylphenyl)-4-N-(2-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 25226479
2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 141303235
2-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-4-N-(2-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
CID 59284577
3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976216
N-(2,6-diethylphenyl)-1-[2-[4-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrole-3-carboxamide
CID 166634737
4-N-[(2R)-butan-2-yl]-2-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 154648842
4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 175430226

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[2-[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethenyl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[2-[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethenyl]-2-pyridinyl]methanesulfonamide (CID 66980872) is N-ethyl-N-[3-[2-[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethenyl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[2-[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethenyl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[2-[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethenyl]-2-pyridinyl]methanesulfonamide is CCN(c1ncccc1C=Cc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2[nH]ccc12)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[2-[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethenyl]-2-pyridinyl]methanesulfonamide?
The InChIKey is VWOVWALKEDINAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O4S/c1-4-34(39(3,35)36)26-19(6-5-12-29-26)7-9-22-21-11-13-28-25(21)32-27(30-22)31-23-10-8-20(18-24(23)37-2)33-14-16-38-17-15-33/h5-13,18H,4,14-17H2,1-3H3,(H2,28,30,31,32).
What are the key properties of N-ethyl-N-[3-[2-[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethenyl]-2-pyridinyl]methanesulfonamide?
N-ethyl-N-[3-[2-[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethenyl]-2-pyridinyl]methanesulfonamide has a molecular weight of 549.66 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[2-[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]ethenyl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 66980872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).