2-[1-ethyl-3-[6-propan-2-yloxy-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidin-3-yl]acetonitrile;methanol

C25H30N6O2 — CID 144891197

IUPAC2-[1-ethyl-3-[6-propan-2-yloxy-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidin-3-yl]acetonitrile;methanol
SMILESCCN1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)c3ccc(OC(C)C)cc32)C1.CO
InChIInChI=1S/C24H26N6O.CH4O/c1-4-29-13-24(14-29,8-9-25)30-12-20(22-19-7-10-26-23(19)28-15-27-22)18-6-5-17(11-21(18)30)31-16(2)3;1-2/h5-7,10-12,15-16H,4,8,13-14H2,1-3H3,(H,26,27,28);2H,1H3
InChIKeyDAJJQQYGTSCFOK-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.92
Rot. Bonds6

About 2-[1-ethyl-3-[6-propan-2-yloxy-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidin-3-yl]acetonitrile;methanol

2-[1-ethyl-3-[6-propan-2-yloxy-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidin-3-yl]acetonitrile;methanol (PubChem CID 144891197) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-[1-ethyl-3-[6-propan-2-yloxy-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidin-3-yl]acetonitrile;methanol.

Molecular Properties

Compound Name2-[1-ethyl-3-[6-propan-2-yloxy-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidin-3-yl]acetonitrile;methanol
PubChem CID144891197
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name2-[1-ethyl-3-[6-propan-2-yloxy-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidin-3-yl]acetonitrile;methanol
SMILESCCN1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)c3ccc(OC(C)C)cc32)C1.CO
InChIInChI=1S/C24H26N6O.CH4O/c1-4-29-13-24(14-29,8-9-25)30-12-20(22-19-7-10-26-23(19)28-15-27-22)18-6-5-17(11-21(18)30)31-16(2)3;1-2/h5-7,10-12,15-16H,4,8,13-14H2,1-3H3,(H,26,27,28);2H,1H3
InChIKeyDAJJQQYGTSCFOK-UHFFFAOYSA-N
XLogP3.92
TPSA102.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[1-ethyl-3-[6-propan-2-yloxy-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidin-3-yl]acetonitrile;methanol 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-[3-[6-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]-1-methylazetidin-3-yl]acetonitrile;methanol
CID 144891199
2-[1-cyclopropylsulfonyl-3-[6-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidin-3-yl]acetonitrile
CID 122693699
2-[3-[3-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-1-propan-2-ylsulfonylazetidin-3-yl]acetonitrile
CID 178181145
2-[1-cyclopropylsulfonyl-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]azetidin-3-yl]acetonitrile
CID 178181139
2-[3-[2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrol-1-yl]-1-ethylsulfanylazetidin-3-yl]acetonitrile
CID 145324867
methyl 2-[3-(cyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]sulfonylpropanoate
CID 142767872
1-[3-(cyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]ethanesulfinic acid
CID 155210813
dihydroxy(oxo)phosphanium;2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 67017228
2-[2,2-dideuterio-1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 73296779
3-ethyl-N,N-dimethyl-3-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidine-1-sulfonamide
CID 122693732
2-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-4-yl]acetonitrile
CID 57478053
5-[2-[3-(cyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]ethyl]pyridine-2-carboxamide
CID 123607930

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-3-[6-propan-2-yloxy-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidin-3-yl]acetonitrile;methanol?
The IUPAC name of 2-[1-ethyl-3-[6-propan-2-yloxy-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidin-3-yl]acetonitrile;methanol (CID 144891197) is 2-[1-ethyl-3-[6-propan-2-yloxy-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidin-3-yl]acetonitrile;methanol.
What is the SMILES notation for 2-[1-ethyl-3-[6-propan-2-yloxy-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidin-3-yl]acetonitrile;methanol?
The canonical SMILES for 2-[1-ethyl-3-[6-propan-2-yloxy-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidin-3-yl]acetonitrile;methanol is CCN1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)c3ccc(OC(C)C)cc32)C1.CO.
What is the InChIKey of 2-[1-ethyl-3-[6-propan-2-yloxy-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidin-3-yl]acetonitrile;methanol?
The InChIKey is DAJJQQYGTSCFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O.CH4O/c1-4-29-13-24(14-29,8-9-25)30-12-20(22-19-7-10-26-23(19)28-15-27-22)18-6-5-17(11-21(18)30)31-16(2)3;1-2/h5-7,10-12,15-16H,4,8,13-14H2,1-3H3,(H,26,27,28);2H,1H3.
What are the key properties of 2-[1-ethyl-3-[6-propan-2-yloxy-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidin-3-yl]acetonitrile;methanol?
2-[1-ethyl-3-[6-propan-2-yloxy-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidin-3-yl]acetonitrile;methanol has a molecular weight of 446.56 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-3-[6-propan-2-yloxy-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]azetidin-3-yl]acetonitrile;methanol is sourced from PubChem (CID 144891197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).