3-[2-[5-[3-(dimethylamino)-5-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol

C28H23FN6O — CID 137088598

IUPAC3-[2-[5-[3-(dimethylamino)-5-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol
SMILESCc1cc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cncc5[nH]4)c3n2)cc(N(C)C)c1
InChIInChI=1S/C28H23FN6O/c1-15-6-17(9-19(7-15)35(2)3)23-4-5-24-27(32-23)28(34-33-24)25-12-21-22(13-30-14-26(21)31-25)16-8-18(29)11-20(36)10-16/h4-14,31,36H,1-3H3,(H,33,34)
InChIKeyNOMCWENNBHESEV-UHFFFAOYSA-N
MW478.53 g/mol
LogP6.05
Rot. Bonds4

About 3-[2-[5-[3-(dimethylamino)-5-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol

3-[2-[5-[3-(dimethylamino)-5-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol (PubChem CID 137088598) has the molecular formula C28H23FN6O and a molecular weight of 478.53 g/mol. Its IUPAC name is 3-[2-[5-[3-(dimethylamino)-5-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[2-[5-[3-(dimethylamino)-5-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol
PubChem CID137088598
Molecular FormulaC28H23FN6O
Molecular Weight478.53 g/mol
Exact Mass478.19
IUPAC Name3-[2-[5-[3-(dimethylamino)-5-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol
SMILESCc1cc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cncc5[nH]4)c3n2)cc(N(C)C)c1
InChIInChI=1S/C28H23FN6O/c1-15-6-17(9-19(7-15)35(2)3)23-4-5-24-27(32-23)28(34-33-24)25-12-21-22(13-30-14-26(21)31-25)16-8-18(29)11-20(36)10-16/h4-14,31,36H,1-3H3,(H,33,34)
InChIKeyNOMCWENNBHESEV-UHFFFAOYSA-N
XLogP6.05
TPSA93.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.53
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[2-[5-[3-(dimethylamino)-5-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol 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

5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 161497392
N-[[3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 137112853
3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol
CID 137112491
5-[3-[7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137308709
3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 137109461
(4E,6E)-6-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]octa-4,6-dien-2-yn-4-amine
CID 145254429
1-[6-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 161237105
2-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137112127
5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137112581
N-[[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 147285284
5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 148974918
3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]-5-fluorophenol
CID 137115031

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[3-(dimethylamino)-5-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol?
The IUPAC name of 3-[2-[5-[3-(dimethylamino)-5-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol (CID 137088598) is 3-[2-[5-[3-(dimethylamino)-5-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol.
What is the SMILES notation for 3-[2-[5-[3-(dimethylamino)-5-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol?
The canonical SMILES for 3-[2-[5-[3-(dimethylamino)-5-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol is Cc1cc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cncc5[nH]4)c3n2)cc(N(C)C)c1.
What is the InChIKey of 3-[2-[5-[3-(dimethylamino)-5-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol?
The InChIKey is NOMCWENNBHESEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN6O/c1-15-6-17(9-19(7-15)35(2)3)23-4-5-24-27(32-23)28(34-33-24)25-12-21-22(13-30-14-26(21)31-25)16-8-18(29)11-20(36)10-16/h4-14,31,36H,1-3H3,(H,33,34).
What are the key properties of 3-[2-[5-[3-(dimethylamino)-5-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol?
3-[2-[5-[3-(dimethylamino)-5-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol has a molecular weight of 478.53 g/mol, XLogP of 6.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[3-(dimethylamino)-5-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol is sourced from PubChem (CID 137088598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).