2-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methylamino]pyrrolo[3,4-c]pyridin-3-ol

C24H24FN3O — CID 136650084

IUPAC2-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methylamino]pyrrolo[3,4-c]pyridin-3-ol
SMILESCC(C)(C)c1ccc(-n2cc3ccnc(NCc4ccc(F)cc4)c3c2O)cc1
InChIInChI=1S/C24H24FN3O/c1-24(2,3)18-6-10-20(11-7-18)28-15-17-12-13-26-22(21(17)23(28)29)27-14-16-4-8-19(25)9-5-16/h4-13,15,29H,14H2,1-3H3,(H,26,27)
InChIKeyHHKJVVXKTXCLTD-UHFFFAOYSA-N
MW389.47 g/mol
LogP5.78
Rot. Bonds4

About 2-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methylamino]pyrrolo[3,4-c]pyridin-3-ol

2-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methylamino]pyrrolo[3,4-c]pyridin-3-ol (PubChem CID 136650084) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methylamino]pyrrolo[3,4-c]pyridin-3-ol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methylamino]pyrrolo[3,4-c]pyridin-3-ol
PubChem CID136650084
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name2-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methylamino]pyrrolo[3,4-c]pyridin-3-ol
SMILESCC(C)(C)c1ccc(-n2cc3ccnc(NCc4ccc(F)cc4)c3c2O)cc1
InChIInChI=1S/C24H24FN3O/c1-24(2,3)18-6-10-20(11-7-18)28-15-17-12-13-26-22(21(17)23(28)29)27-14-16-4-8-19(25)9-5-16/h4-13,15,29H,14H2,1-3H3,(H,26,27)
InChIKeyHHKJVVXKTXCLTD-UHFFFAOYSA-N
XLogP5.78
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-Amino-5-(1-ethylindol-5-yl)pyrimidin-4-yl]-4-fluorophenol
CID 136065853
4-[[2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]phenol
CID 71728829
2-[(1-methyl-2-phenyl-1H-indol-3-yl)[(pyridin-2-yl)amino]methyl]phenol
CID 4063895
2-(Ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol
CID 155542594
6-[2-(4-Fluorophenyl)ethyl]-2-(methylamino)pyrrolo[3,4-d]pyrimidin-5-ol
CID 155544389
2-(Methylamino)-6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-d]pyrimidin-5-ol
CID 155547528
6-(3,4-Dimethylphenyl)-2-(ethylamino)pyrrolo[3,4-d]pyrimidin-5-ol
CID 155562855
2-(Methylamino)-6-(2-phenylethyl)pyrrolo[3,4-d]pyrimidin-5-ol
CID 155568896
3-[(2-phenyl-1H-pyrrolo[3,2-c]pyridin-6-yl)amino]phenol
CID 71728562
3-[[2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]phenol
CID 71448628
5-fluoro-N4-(3-hydroxyphenyl)-N2-[2-(indol-3-yl)ethyl]-2,4-pyrimidinediamine
CID 22060352
5-Fluoro-3-[2-[methyl-(6-methyl-2-pyridinyl)amino]ethyl]-1-propylindol-4-ol
CID 50995992

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methylamino]pyrrolo[3,4-c]pyridin-3-ol?
The IUPAC name of 2-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methylamino]pyrrolo[3,4-c]pyridin-3-ol (CID 136650084) is 2-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methylamino]pyrrolo[3,4-c]pyridin-3-ol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methylamino]pyrrolo[3,4-c]pyridin-3-ol?
The canonical SMILES for 2-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methylamino]pyrrolo[3,4-c]pyridin-3-ol is CC(C)(C)c1ccc(-n2cc3ccnc(NCc4ccc(F)cc4)c3c2O)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methylamino]pyrrolo[3,4-c]pyridin-3-ol?
The InChIKey is HHKJVVXKTXCLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-24(2,3)18-6-10-20(11-7-18)28-15-17-12-13-26-22(21(17)23(28)29)27-14-16-4-8-19(25)9-5-16/h4-13,15,29H,14H2,1-3H3,(H,26,27).
What are the key properties of 2-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methylamino]pyrrolo[3,4-c]pyridin-3-ol?
2-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methylamino]pyrrolo[3,4-c]pyridin-3-ol has a molecular weight of 389.47 g/mol, XLogP of 5.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methylamino]pyrrolo[3,4-c]pyridin-3-ol is sourced from PubChem (CID 136650084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).