5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine

C29H24FN7 — CID 137103087

IUPAC5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine
SMILESC=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccc(F)c6)nccc5[nH]4)c3c2)c1)C(C)C
InChIInChI=1S/C29H24FN7/c1-16(2)17(3)34-22-10-19(13-31-15-22)20-11-24-28(36-37-29(24)33-14-20)26-12-23-25(35-26)7-8-32-27(23)18-5-4-6-21(30)9-18/h4-16,34-35H,3H2,1-2H3,(H,33,36,37)
InChIKeyAWYUZWHUNKEILR-UHFFFAOYSA-N
MW489.56 g/mol
LogP6.95
Rot. Bonds6

About 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine

5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine (PubChem CID 137103087) has the molecular formula C29H24FN7 and a molecular weight of 489.56 g/mol. Its IUPAC name is 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine
PubChem CID137103087
Molecular FormulaC29H24FN7
Molecular Weight489.56 g/mol
Exact Mass489.21
IUPAC Name5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine
SMILESC=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccc(F)c6)nccc5[nH]4)c3c2)c1)C(C)C
InChIInChI=1S/C29H24FN7/c1-16(2)17(3)34-22-10-19(13-31-15-22)20-11-24-28(36-37-29(24)33-14-20)26-12-23-25(35-26)7-8-32-27(23)18-5-4-6-21(30)9-18/h4-16,34-35H,3H2,1-2H3,(H,33,36,37)
InChIKeyAWYUZWHUNKEILR-UHFFFAOYSA-N
XLogP6.95
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.56
LogP ≤ 56.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine 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

N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145248413
N-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137310881
N-(3-methylbut-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145248554
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145295
N-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 138604383
N-(4,4-dimethylpent-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145248329
N-(1-cyclohexylethenyl)-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145248373
N-(1-cyclobutylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 137088729
N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137041335
N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137310834
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145368
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137145289

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine?
The IUPAC name of 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine (CID 137103087) is 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine.
What is the SMILES notation for 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine?
The canonical SMILES for 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine is C=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccc(F)c6)nccc5[nH]4)c3c2)c1)C(C)C.
What is the InChIKey of 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine?
The InChIKey is AWYUZWHUNKEILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN7/c1-16(2)17(3)34-22-10-19(13-31-15-22)20-11-24-28(36-37-29(24)33-14-20)26-12-23-25(35-26)7-8-32-27(23)18-5-4-6-21(30)9-18/h4-16,34-35H,3H2,1-2H3,(H,33,36,37).
What are the key properties of 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine?
5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine has a molecular weight of 489.56 g/mol, XLogP of 6.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine is sourced from PubChem (CID 137103087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).