4-(3-fluorophenyl)-5-(1-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine

C26H24FN5 — CID 146564952

IUPAC4-(3-fluorophenyl)-5-(1-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine
SMILESCn1ncc2cc(-c3ncc4c(ccn4C[C@@H]4CCNC4)c3-c3cccc(F)c3)ccc21
InChIInChI=1S/C26H24FN5/c1-31-23-6-5-19(11-20(23)14-30-31)26-25(18-3-2-4-21(27)12-18)22-8-10-32(24(22)15-29-26)16-17-7-9-28-13-17/h2-6,8,10-12,14-15,17,28H,7,9,13,16H2,1H3/t17-/m1/s1
InChIKeyXMZQCAFSHJZKQL-QGZVFWFLSA-N
MW425.51 g/mol
LogP5.01
Rot. Bonds4

About 4-(3-fluorophenyl)-5-(1-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine

4-(3-fluorophenyl)-5-(1-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine (PubChem CID 146564952) has the molecular formula C26H24FN5 and a molecular weight of 425.51 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-(1-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-(1-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine
PubChem CID146564952
Molecular FormulaC26H24FN5
Molecular Weight425.51 g/mol
Exact Mass425.20
IUPAC Name4-(3-fluorophenyl)-5-(1-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine
SMILESCn1ncc2cc(-c3ncc4c(ccn4C[C@@H]4CCNC4)c3-c3cccc(F)c3)ccc21
InChIInChI=1S/C26H24FN5/c1-31-23-6-5-19(11-20(23)14-30-31)26-25(18-3-2-4-21(27)12-18)22-8-10-32(24(22)15-29-26)16-17-7-9-28-13-17/h2-6,8,10-12,14-15,17,28H,7,9,13,16H2,1H3/t17-/m1/s1
InChIKeyXMZQCAFSHJZKQL-QGZVFWFLSA-N
XLogP5.01
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-fluorophenyl)-5-(1-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine 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-(3-fluorophenyl)-5-(1-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine?
The IUPAC name of 4-(3-fluorophenyl)-5-(1-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine (CID 146564952) is 4-(3-fluorophenyl)-5-(1-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4-(3-fluorophenyl)-5-(1-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine?
The canonical SMILES for 4-(3-fluorophenyl)-5-(1-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine is Cn1ncc2cc(-c3ncc4c(ccn4C[C@@H]4CCNC4)c3-c3cccc(F)c3)ccc21.
What is the InChIKey of 4-(3-fluorophenyl)-5-(1-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine?
The InChIKey is XMZQCAFSHJZKQL-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H24FN5/c1-31-23-6-5-19(11-20(23)14-30-31)26-25(18-3-2-4-21(27)12-18)22-8-10-32(24(22)15-29-26)16-17-7-9-28-13-17/h2-6,8,10-12,14-15,17,28H,7,9,13,16H2,1H3/t17-/m1/s1.
What are the key properties of 4-(3-fluorophenyl)-5-(1-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine?
4-(3-fluorophenyl)-5-(1-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine has a molecular weight of 425.51 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-(1-methylindazol-5-yl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 146564952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).