5-(5-decyl-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide

C28H34N6O — CID 144929327

IUPAC5-(5-decyl-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
SMILESCCCCCCCCCCc1cncc(-c2ccc3[nH]nc(C(=O)Nc4cnc(C)nc4)c3c2)c1
InChIInChI=1S/C28H34N6O/c1-3-4-5-6-7-8-9-10-11-21-14-23(17-29-16-21)22-12-13-26-25(15-22)27(34-33-26)28(35)32-24-18-30-20(2)31-19-24/h12-19H,3-11H2,1-2H3,(H,32,35)(H,33,34)
InChIKeyOLRGVJWUUUYCNI-UHFFFAOYSA-N
MW470.62 g/mol
LogP6.66
Rot. Bonds12

About 5-(5-decyl-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide

5-(5-decyl-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide (PubChem CID 144929327) has the molecular formula C28H34N6O and a molecular weight of 470.62 g/mol. Its IUPAC name is 5-(5-decyl-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-decyl-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
PubChem CID144929327
Molecular FormulaC28H34N6O
Molecular Weight470.62 g/mol
Exact Mass470.28
IUPAC Name5-(5-decyl-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
SMILESCCCCCCCCCCc1cncc(-c2ccc3[nH]nc(C(=O)Nc4cnc(C)nc4)c3c2)c1
InChIInChI=1S/C28H34N6O/c1-3-4-5-6-7-8-9-10-11-21-14-23(17-29-16-21)22-12-13-26-25(15-22)27(34-33-26)28(35)32-24-18-30-20(2)31-19-24/h12-19H,3-11H2,1-2H3,(H,32,35)(H,33,34)
InChIKeyOLRGVJWUUUYCNI-UHFFFAOYSA-N
XLogP6.66
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 89459134
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144555414
N-[5-methyl-6-[methyl(propyl)amino]-3-pyridinyl]-5-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144555377
N-(6-cyano-3-pyridinyl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450447
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450413
5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide
CID 118381881
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;formaldehyde;2-methylpropane
CID 144555496
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 147387455
5-(2,3-difluorophenyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 118382000
5-(5-amino-3-pyridinyl)-N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450628
N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450784
N-[6-(azetidin-1-yl)-5-methyl-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450868

Frequently Asked Questions

What is the IUPAC name of 5-(5-decyl-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-decyl-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide (CID 144929327) is 5-(5-decyl-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-decyl-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-decyl-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide is CCCCCCCCCCc1cncc(-c2ccc3[nH]nc(C(=O)Nc4cnc(C)nc4)c3c2)c1.
What is the InChIKey of 5-(5-decyl-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide?
The InChIKey is OLRGVJWUUUYCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O/c1-3-4-5-6-7-8-9-10-11-21-14-23(17-29-16-21)22-12-13-26-25(15-22)27(34-33-26)28(35)32-24-18-30-20(2)31-19-24/h12-19H,3-11H2,1-2H3,(H,32,35)(H,33,34).
What are the key properties of 5-(5-decyl-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide?
5-(5-decyl-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide has a molecular weight of 470.62 g/mol, XLogP of 6.66, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-decyl-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 144929327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).