5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]-1H-indazole-7-carboxamide

C26H26N8O — CID 59023954

IUPAC5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]-1H-indazole-7-carboxamide
SMILESNc1cc2c(-c3cc(C(=O)Nc4cccc(CN5CCNCC5)c4)c4[nH]ncc4c3)c[nH]c2cn1
InChIInChI=1S/C26H26N8O/c27-24-11-20-22(13-29-23(20)14-30-24)17-9-18-12-31-33-25(18)21(10-17)26(35)32-19-3-1-2-16(8-19)15-34-6-4-28-5-7-34/h1-3,8-14,28-29H,4-7,15H2,(H2,27,30)(H,31,33)(H,32,35)
InChIKeyJWLRVRMPYFHLNF-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.35
Rot. Bonds5

About 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]-1H-indazole-7-carboxamide

5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]-1H-indazole-7-carboxamide (PubChem CID 59023954) has the molecular formula C26H26N8O and a molecular weight of 466.55 g/mol. Its IUPAC name is 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]-1H-indazole-7-carboxamide
PubChem CID59023954
Molecular FormulaC26H26N8O
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC Name5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]-1H-indazole-7-carboxamide
SMILESNc1cc2c(-c3cc(C(=O)Nc4cccc(CN5CCNCC5)c4)c4[nH]ncc4c3)c[nH]c2cn1
InChIInChI=1S/C26H26N8O/c27-24-11-20-22(13-29-23(20)14-30-24)17-9-18-12-31-33-25(18)21(10-17)26(35)32-19-3-1-2-16(8-19)15-34-6-4-28-5-7-34/h1-3,8-14,28-29H,4-7,15H2,(H2,27,30)(H,31,33)(H,32,35)
InChIKeyJWLRVRMPYFHLNF-UHFFFAOYSA-N
XLogP3.35
TPSA127.75 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]-1H-indazole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]-1H-indazole-7-carboxamide?
The IUPAC name of 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]-1H-indazole-7-carboxamide (CID 59023954) is 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]-1H-indazole-7-carboxamide?
The canonical SMILES for 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]-1H-indazole-7-carboxamide is Nc1cc2c(-c3cc(C(=O)Nc4cccc(CN5CCNCC5)c4)c4[nH]ncc4c3)c[nH]c2cn1.
What is the InChIKey of 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]-1H-indazole-7-carboxamide?
The InChIKey is JWLRVRMPYFHLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O/c27-24-11-20-22(13-29-23(20)14-30-24)17-9-18-12-31-33-25(18)21(10-17)26(35)32-19-3-1-2-16(8-19)15-34-6-4-28-5-7-34/h1-3,8-14,28-29H,4-7,15H2,(H2,27,30)(H,31,33)(H,32,35).
What are the key properties of 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]-1H-indazole-7-carboxamide?
5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]-1H-indazole-7-carboxamide has a molecular weight of 466.55 g/mol, XLogP of 3.35, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 59023954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).