5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine

C28H23FN6 — CID 137113293

IUPAC5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
SMILESCC(C)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C28H23FN6/c1-16(2)32-20-10-18(13-30-14-20)25-12-23-27(15-31-25)34-35-28(23)26-11-22-21(4-3-5-24(22)33-26)17-6-8-19(29)9-7-17/h3-16,32-33H,1-2H3,(H,34,35)
InChIKeySQEWPNLDBLMTRH-UHFFFAOYSA-N
MW462.53 g/mol
LogP6.79
Rot. Bonds5

About 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine

5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine (PubChem CID 137113293) has the molecular formula C28H23FN6 and a molecular weight of 462.53 g/mol. Its IUPAC name is 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
PubChem CID137113293
Molecular FormulaC28H23FN6
Molecular Weight462.53 g/mol
Exact Mass462.20
IUPAC Name5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
SMILESCC(C)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C28H23FN6/c1-16(2)32-20-10-18(13-30-14-20)25-12-23-27(15-31-25)34-35-28(23)26-11-22-21(4-3-5-24(22)33-26)17-6-8-19(29)9-7-17/h3-16,32-33H,1-2H3,(H,34,35)
InChIKeySQEWPNLDBLMTRH-UHFFFAOYSA-N
XLogP6.79
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.53
LogP ≤ 56.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 137113395
1-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]-3-methylbutan-1-ol
CID 137281334
3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol
CID 137311422
3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137113403
5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 137088527
5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 136946458
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137113614
3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137112975
N-[3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137115221
5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137116351
1-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol
CID 137379639
N-[3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137033891

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?
The IUPAC name of 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine (CID 137113293) is 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?
The canonical SMILES for 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine is CC(C)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?
The InChIKey is SQEWPNLDBLMTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN6/c1-16(2)32-20-10-18(13-30-14-20)25-12-23-27(15-31-25)34-35-28(23)26-11-22-21(4-3-5-24(22)33-26)17-6-8-19(29)9-7-17/h3-16,32-33H,1-2H3,(H,34,35).
What are the key properties of 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?
5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine has a molecular weight of 462.53 g/mol, XLogP of 6.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 137113293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).