4-[1-(2-aminopyrimidin-4-yl)-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol

C20H22N6O2 — CID 171358851

IUPAC4-[1-(2-aminopyrimidin-4-yl)-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cc2c(ccn2-c2ccnc(N)n2)c(N2CCOCC2)n1
InChIInChI=1S/C20H22N6O2/c1-20(2,27)6-3-14-13-16-15(18(23-14)25-9-11-28-12-10-25)5-8-26(16)17-4-7-22-19(21)24-17/h4-5,7-8,13,27H,9-12H2,1-2H3,(H2,21,22,24)
InChIKeyIEVIJNDAXLTTLR-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.36
Rot. Bonds2

About 4-[1-(2-aminopyrimidin-4-yl)-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol

4-[1-(2-aminopyrimidin-4-yl)-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol (PubChem CID 171358851) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-[1-(2-aminopyrimidin-4-yl)-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-[1-(2-aminopyrimidin-4-yl)-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol
PubChem CID171358851
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name4-[1-(2-aminopyrimidin-4-yl)-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cc2c(ccn2-c2ccnc(N)n2)c(N2CCOCC2)n1
InChIInChI=1S/C20H22N6O2/c1-20(2,27)6-3-14-13-16-15(18(23-14)25-9-11-28-12-10-25)5-8-26(16)17-4-7-22-19(21)24-17/h4-5,7-8,13,27H,9-12H2,1-2H3,(H2,21,22,24)
InChIKeyIEVIJNDAXLTTLR-UHFFFAOYSA-N
XLogP1.36
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[1-(2-aminopyrimidin-4-yl)-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol 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-[1-(2-aminopyrimidin-4-yl)-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-[1-(2-aminopyrimidin-4-yl)-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol (CID 171358851) is 4-[1-(2-aminopyrimidin-4-yl)-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-[1-(2-aminopyrimidin-4-yl)-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-[1-(2-aminopyrimidin-4-yl)-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol is CC(C)(O)C#Cc1cc2c(ccn2-c2ccnc(N)n2)c(N2CCOCC2)n1.
What is the InChIKey of 4-[1-(2-aminopyrimidin-4-yl)-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol?
The InChIKey is IEVIJNDAXLTTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-20(2,27)6-3-14-13-16-15(18(23-14)25-9-11-28-12-10-25)5-8-26(16)17-4-7-22-19(21)24-17/h4-5,7-8,13,27H,9-12H2,1-2H3,(H2,21,22,24).
What are the key properties of 4-[1-(2-aminopyrimidin-4-yl)-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol?
4-[1-(2-aminopyrimidin-4-yl)-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 378.44 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-aminopyrimidin-4-yl)-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 171358851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).