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

C52H42N14 — CID 145254727

IUPAC5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cncc(-c2cc3c(-c4cc5c(-c6ccncc6)cccc5[nH]4)n[nH]c3cn2)c1.Nc1cncc(-c2cc3c(-c4cc5c(-c6ccncc6)cccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C28H25N7.C24H17N7/c1-2-8-30-14-18-11-20(16-31-15-18)25-13-23-27(17-32-25)34-35-28(23)26-12-22-21(4-3-5-24(22)33-26)19-6-9-29-10-7-19;25-16-8-15(11-27-12-16)21-10-19-23(13-28-21)30-31-24(19)22-9-18-17(2-1-3-20(18)29-22)14-4-6-26-7-5-14/h3-7,9-13,15-17,30,33H,2,8,14H2,1H3,(H,34,35);1-13,29H,25H2,(H,30,31)
InChIKeyDBLNAKCMYPJTKD-UHFFFAOYSA-N
MW863.01 g/mol
LogP10.54
Rot. Bonds10

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

5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine (PubChem CID 145254727) has the molecular formula C52H42N14 and a molecular weight of 863.01 g/mol. Its IUPAC name is 5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine
PubChem CID145254727
Molecular FormulaC52H42N14
Molecular Weight863.01 g/mol
Exact Mass862.37
IUPAC Name5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cncc(-c2cc3c(-c4cc5c(-c6ccncc6)cccc5[nH]4)n[nH]c3cn2)c1.Nc1cncc(-c2cc3c(-c4cc5c(-c6ccncc6)cccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C28H25N7.C24H17N7/c1-2-8-30-14-18-11-20(16-31-15-18)25-13-23-27(17-32-25)34-35-28(23)26-12-22-21(4-3-5-24(22)33-26)19-6-9-29-10-7-19;25-16-8-15(11-27-12-16)21-10-19-23(13-28-21)30-31-24(19)22-9-18-17(2-1-3-20(18)29-22)14-4-6-26-7-5-14/h3-7,9-13,15-17,30,33H,2,8,14H2,1H3,(H,34,35);1-13,29H,25H2,(H,30,31)
InChIKeyDBLNAKCMYPJTKD-UHFFFAOYSA-N
XLogP10.54
TPSA204.33 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500863.01
LogP ≤ 510.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine (CID 145254727) is 5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cncc(-c2cc3c(-c4cc5c(-c6ccncc6)cccc5[nH]4)n[nH]c3cn2)c1.Nc1cncc(-c2cc3c(-c4cc5c(-c6ccncc6)cccc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is DBLNAKCMYPJTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7.C24H17N7/c1-2-8-30-14-18-11-20(16-31-15-18)25-13-23-27(17-32-25)34-35-28(23)26-12-22-21(4-3-5-24(22)33-26)19-6-9-29-10-7-19;25-16-8-15(11-27-12-16)21-10-19-23(13-28-21)30-31-24(19)22-9-18-17(2-1-3-20(18)29-22)14-4-6-26-7-5-14/h3-7,9-13,15-17,30,33H,2,8,14H2,1H3,(H,34,35);1-13,29H,25H2,(H,30,31).
What are the key properties of 5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine?
5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 863.01 g/mol, XLogP of 10.54, 10 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 145254727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).