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

C19H19N5O — CID 171343635

IUPAC4-[1-(2-aminopyrimidin-4-yl)-3-cyclopropylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cc2c(cn1)c(C1CC1)cn2-c1ccnc(N)n1
InChIInChI=1S/C19H19N5O/c1-19(2,25)7-5-13-9-16-14(10-22-13)15(12-3-4-12)11-24(16)17-6-8-21-18(20)23-17/h6,8-12,25H,3-4H2,1-2H3,(H2,20,21,23)
InChIKeyDDAOLZQAFAFGCG-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.40
Rot. Bonds2

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

4-[1-(2-aminopyrimidin-4-yl)-3-cyclopropylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol (PubChem CID 171343635) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-[1-(2-aminopyrimidin-4-yl)-3-cyclopropylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-[1-(2-aminopyrimidin-4-yl)-3-cyclopropylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol
PubChem CID171343635
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name4-[1-(2-aminopyrimidin-4-yl)-3-cyclopropylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cc2c(cn1)c(C1CC1)cn2-c1ccnc(N)n1
InChIInChI=1S/C19H19N5O/c1-19(2,25)7-5-13-9-16-14(10-22-13)15(12-3-4-12)11-24(16)17-6-8-21-18(20)23-17/h6,8-12,25H,3-4H2,1-2H3,(H2,20,21,23)
InChIKeyDDAOLZQAFAFGCG-UHFFFAOYSA-N
XLogP2.40
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[1-(2-aminopyrimidin-4-yl)-3-cyclopropylpyrrolo[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)-3-cyclopropylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-[1-(2-aminopyrimidin-4-yl)-3-cyclopropylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol (CID 171343635) is 4-[1-(2-aminopyrimidin-4-yl)-3-cyclopropylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-[1-(2-aminopyrimidin-4-yl)-3-cyclopropylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-[1-(2-aminopyrimidin-4-yl)-3-cyclopropylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol is CC(C)(O)C#Cc1cc2c(cn1)c(C1CC1)cn2-c1ccnc(N)n1.
What is the InChIKey of 4-[1-(2-aminopyrimidin-4-yl)-3-cyclopropylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol?
The InChIKey is DDAOLZQAFAFGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-19(2,25)7-5-13-9-16-14(10-22-13)15(12-3-4-12)11-24(16)17-6-8-21-18(20)23-17/h6,8-12,25H,3-4H2,1-2H3,(H2,20,21,23).
What are the key properties of 4-[1-(2-aminopyrimidin-4-yl)-3-cyclopropylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol?
4-[1-(2-aminopyrimidin-4-yl)-3-cyclopropylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 333.40 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-aminopyrimidin-4-yl)-3-cyclopropylpyrrolo[3,2-c]pyridin-6-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 171343635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).