5-(5-amino-3-pyridinyl)-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C25H26N6O2 — CID 146905101

IUPAC5-(5-amino-3-pyridinyl)-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCCC(CC)CC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N)c4)cc23)cn1
InChIInChI=1S/C25H26N6O2/c1-3-15(4-2)9-23(32)22-8-6-19(14-28-22)29-25(33)24-20-11-16(5-7-21(20)30-31-24)17-10-18(26)13-27-12-17/h5-8,10-15H,3-4,9,26H2,1-2H3,(H,29,33)(H,30,31)
InChIKeyAAFKCZBYGRRELW-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.86
Rot. Bonds8

About 5-(5-amino-3-pyridinyl)-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-(5-amino-3-pyridinyl)-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 146905101) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-amino-3-pyridinyl)-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID146905101
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name5-(5-amino-3-pyridinyl)-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCCC(CC)CC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N)c4)cc23)cn1
InChIInChI=1S/C25H26N6O2/c1-3-15(4-2)9-23(32)22-8-6-19(14-28-22)29-25(33)24-20-11-16(5-7-21(20)30-31-24)17-10-18(26)13-27-12-17/h5-8,10-15H,3-4,9,26H2,1-2H3,(H,29,33)(H,30,31)
InChIKeyAAFKCZBYGRRELW-UHFFFAOYSA-N
XLogP4.86
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-amino-3-pyridinyl)-N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450628
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 147387455
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 158393432
N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450784
N-[6-(2-cyclopentylacetyl)-3-pyridinyl]-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 148813338
5-(5-amino-3-pyridinyl)-N-(5-fluoro-2-pyridinyl)-1H-indazole-3-carboxamide
CID 118381935
5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide
CID 118382133
5-(5-amino-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382058
5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide
CID 89459064
5-(5-phenoxy-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450561
5-(5-amino-3-pyridinyl)-N-(3,5-difluoro-2-pyridinyl)-1H-indazole-3-carboxamide
CID 118382179
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144555414

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-pyridinyl)-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-amino-3-pyridinyl)-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 146905101) is 5-(5-amino-3-pyridinyl)-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-amino-3-pyridinyl)-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-amino-3-pyridinyl)-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CCC(CC)CC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N)c4)cc23)cn1.
What is the InChIKey of 5-(5-amino-3-pyridinyl)-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is AAFKCZBYGRRELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-3-15(4-2)9-23(32)22-8-6-19(14-28-22)29-25(33)24-20-11-16(5-7-21(20)30-31-24)17-10-18(26)13-27-12-17/h5-8,10-15H,3-4,9,26H2,1-2H3,(H,29,33)(H,30,31).
What are the key properties of 5-(5-amino-3-pyridinyl)-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-(5-amino-3-pyridinyl)-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 4.86, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3-pyridinyl)-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 146905101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).