4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C20H18N6O2 — CID 146393796

IUPAC4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCOc1cc2c(cc1Nc1nc(C3CC3)c3c(C#N)c[nH]c3n1)CN(C)C2=O
InChIInChI=1S/C20H18N6O2/c1-26-9-11-5-14(15(28-2)6-13(11)19(26)27)23-20-24-17(10-3-4-10)16-12(7-21)8-22-18(16)25-20/h5-6,8,10H,3-4,9H2,1-2H3,(H2,22,23,24,25)
InChIKeyIFAJIQYATBAHES-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.04
Rot. Bonds4

About 4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 146393796) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID146393796
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCOc1cc2c(cc1Nc1nc(C3CC3)c3c(C#N)c[nH]c3n1)CN(C)C2=O
InChIInChI=1S/C20H18N6O2/c1-26-9-11-5-14(15(28-2)6-13(11)19(26)27)23-20-24-17(10-3-4-10)16-12(7-21)8-22-18(16)25-20/h5-6,8,10H,3-4,9H2,1-2H3,(H2,22,23,24,25)
InChIKeyIFAJIQYATBAHES-UHFFFAOYSA-N
XLogP3.04
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 146393796) is 4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is COc1cc2c(cc1Nc1nc(C3CC3)c3c(C#N)c[nH]c3n1)CN(C)C2=O.
What is the InChIKey of 4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is IFAJIQYATBAHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-26-9-11-5-14(15(28-2)6-13(11)19(26)27)23-20-24-17(10-3-4-10)16-12(7-21)8-22-18(16)25-20/h5-6,8,10H,3-4,9H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 374.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 146393796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).