7-(1H-indol-5-yl)-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine

C26H19N5O — CID 50997595

IUPAC7-(1H-indol-5-yl)-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine
SMILESNc1n[nH]c2c(-c3ccc4[nH]ccc4c3)ncc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C26H19N5O/c27-26-23-21(16-6-9-20(10-7-16)32-19-4-2-1-3-5-19)15-29-24(25(23)30-31-26)18-8-11-22-17(14-18)12-13-28-22/h1-15,28H,(H3,27,30,31)
InChIKeyLNRIEAVCDXMKOO-UHFFFAOYSA-N
MW417.47 g/mol
LogP6.15
Rot. Bonds4

About 7-(1H-indol-5-yl)-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine

7-(1H-indol-5-yl)-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine (PubChem CID 50997595) has the molecular formula C26H19N5O and a molecular weight of 417.47 g/mol. Its IUPAC name is 7-(1H-indol-5-yl)-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine.

Molecular Properties

Compound Name7-(1H-indol-5-yl)-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine
PubChem CID50997595
Molecular FormulaC26H19N5O
Molecular Weight417.47 g/mol
Exact Mass417.16
IUPAC Name7-(1H-indol-5-yl)-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine
SMILESNc1n[nH]c2c(-c3ccc4[nH]ccc4c3)ncc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C26H19N5O/c27-26-23-21(16-6-9-20(10-7-16)32-19-4-2-1-3-5-19)15-29-24(25(23)30-31-26)18-8-11-22-17(14-18)12-13-28-22/h1-15,28H,(H3,27,30,31)
InChIKeyLNRIEAVCDXMKOO-UHFFFAOYSA-N
XLogP6.15
TPSA92.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 56.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-indol-5-yl)-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine?
The IUPAC name of 7-(1H-indol-5-yl)-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine (CID 50997595) is 7-(1H-indol-5-yl)-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine.
What is the SMILES notation for 7-(1H-indol-5-yl)-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine?
The canonical SMILES for 7-(1H-indol-5-yl)-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine is Nc1n[nH]c2c(-c3ccc4[nH]ccc4c3)ncc(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of 7-(1H-indol-5-yl)-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine?
The InChIKey is LNRIEAVCDXMKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O/c27-26-23-21(16-6-9-20(10-7-16)32-19-4-2-1-3-5-19)15-29-24(25(23)30-31-26)18-8-11-22-17(14-18)12-13-28-22/h1-15,28H,(H3,27,30,31).
What are the key properties of 7-(1H-indol-5-yl)-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine?
7-(1H-indol-5-yl)-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine has a molecular weight of 417.47 g/mol, XLogP of 6.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indol-5-yl)-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine is sourced from PubChem (CID 50997595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).