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

C24H22N6O2 — CID 71164382

IUPAC5-(5-amino-1-methylpyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide
SMILESCn1cc(-c2cc(C(=O)NCCc3ccc(O)cc3)c3[nH]ncc3c2)c2cc(N)ncc21
InChIInChI=1S/C24H22N6O2/c1-30-13-20(18-10-22(25)27-12-21(18)30)15-8-16-11-28-29-23(16)19(9-15)24(32)26-7-6-14-2-4-17(31)5-3-14/h2-5,8-13,31H,6-7H2,1H3,(H2,25,27)(H,26,32)(H,28,29)
InChIKeyBKNGYBOBDYGJTE-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.38
Rot. Bonds5

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

5-(5-amino-1-methylpyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide (PubChem CID 71164382) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 5-(5-amino-1-methylpyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name5-(5-amino-1-methylpyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide
PubChem CID71164382
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name5-(5-amino-1-methylpyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide
SMILESCn1cc(-c2cc(C(=O)NCCc3ccc(O)cc3)c3[nH]ncc3c2)c2cc(N)ncc21
InChIInChI=1S/C24H22N6O2/c1-30-13-20(18-10-22(25)27-12-21(18)30)15-8-16-11-28-29-23(16)19(9-15)24(32)26-7-6-14-2-4-17(31)5-3-14/h2-5,8-13,31H,6-7H2,1H3,(H2,25,27)(H,26,32)(H,28,29)
InChIKeyBKNGYBOBDYGJTE-UHFFFAOYSA-N
XLogP3.38
TPSA121.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1-methylpyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide?
The IUPAC name of 5-(5-amino-1-methylpyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide (CID 71164382) is 5-(5-amino-1-methylpyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for 5-(5-amino-1-methylpyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide?
The canonical SMILES for 5-(5-amino-1-methylpyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide is Cn1cc(-c2cc(C(=O)NCCc3ccc(O)cc3)c3[nH]ncc3c2)c2cc(N)ncc21.
What is the InChIKey of 5-(5-amino-1-methylpyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide?
The InChIKey is BKNGYBOBDYGJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-30-13-20(18-10-22(25)27-12-21(18)30)15-8-16-11-28-29-23(16)19(9-15)24(32)26-7-6-14-2-4-17(31)5-3-14/h2-5,8-13,31H,6-7H2,1H3,(H2,25,27)(H,26,32)(H,28,29).
What are the key properties of 5-(5-amino-1-methylpyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide?
5-(5-amino-1-methylpyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.38, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1-methylpyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 71164382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).