5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide

C23H20N6O2 — CID 59023904

IUPAC5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide
SMILESNc1cc2c(-c3cc(C(=O)NCCc4ccc(O)cc4)c4[nH]ncc4c3)c[nH]c2cn1
InChIInChI=1S/C23H20N6O2/c24-21-9-17-19(11-26-20(17)12-27-21)14-7-15-10-28-29-22(15)18(8-14)23(31)25-6-5-13-1-3-16(30)4-2-13/h1-4,7-12,26,30H,5-6H2,(H2,24,27)(H,25,31)(H,28,29)
InChIKeyFLQJJUZQQXELLD-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.37
Rot. Bonds5

About 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide

5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide (PubChem CID 59023904) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide
PubChem CID59023904
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide
SMILESNc1cc2c(-c3cc(C(=O)NCCc4ccc(O)cc4)c4[nH]ncc4c3)c[nH]c2cn1
InChIInChI=1S/C23H20N6O2/c24-21-9-17-19(11-26-20(17)12-27-21)14-7-15-10-28-29-22(15)18(8-14)23(31)25-6-5-13-1-3-16(30)4-2-13/h1-4,7-12,26,30H,5-6H2,(H2,24,27)(H,25,31)(H,28,29)
InChIKeyFLQJJUZQQXELLD-UHFFFAOYSA-N
XLogP3.37
TPSA132.71 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide?
The IUPAC name of 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide (CID 59023904) is 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide?
The canonical SMILES for 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide is Nc1cc2c(-c3cc(C(=O)NCCc4ccc(O)cc4)c4[nH]ncc4c3)c[nH]c2cn1.
What is the InChIKey of 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide?
The InChIKey is FLQJJUZQQXELLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c24-21-9-17-19(11-26-20(17)12-27-21)14-7-15-10-28-29-22(15)18(8-14)23(31)25-6-5-13-1-3-16(30)4-2-13/h1-4,7-12,26,30H,5-6H2,(H2,24,27)(H,25,31)(H,28,29).
What are the key properties of 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide?
5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 59023904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).