5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide

C23H17F3N6O2 — CID 118381858

IUPAC5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)n1)c1n[nH]c2ccc(-c3cncc(NC(=O)C4CC4)c3)cc12
InChIInChI=1S/C23H17F3N6O2/c24-23(25,26)18-2-1-3-19(29-18)30-22(34)20-16-9-13(6-7-17(16)31-32-20)14-8-15(11-27-10-14)28-21(33)12-4-5-12/h1-3,6-12H,4-5H2,(H,28,33)(H,31,32)(H,29,30,34)
InChIKeyLEMFPIMQYVBAIB-UHFFFAOYSA-N
MW466.42 g/mol
LogP4.64
Rot. Bonds5

About 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide

5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118381858) has the molecular formula C23H17F3N6O2 and a molecular weight of 466.42 g/mol. Its IUPAC name is 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118381858
Molecular FormulaC23H17F3N6O2
Molecular Weight466.42 g/mol
Exact Mass466.14
IUPAC Name5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)n1)c1n[nH]c2ccc(-c3cncc(NC(=O)C4CC4)c3)cc12
InChIInChI=1S/C23H17F3N6O2/c24-23(25,26)18-2-1-3-19(29-18)30-22(34)20-16-9-13(6-7-17(16)31-32-20)14-8-15(11-27-10-14)28-21(33)12-4-5-12/h1-3,6-12H,4-5H2,(H,28,33)(H,31,32)(H,29,30,34)
InChIKeyLEMFPIMQYVBAIB-UHFFFAOYSA-N
XLogP4.64
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.42
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89445547
N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458576
N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89459070
N-(6-cyano-3-pyridinyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450886
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1H-indazole-3-carboxamide
CID 118381614
N-[2-(azetidin-1-yl)-4-pyridinyl]-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381679
N-[6-(2-cyclopentylacetyl)-3-pyridinyl]-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 148813338
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-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144555432
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane
CID 144555302
N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 123214472

Frequently Asked Questions

What is the IUPAC name of 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide (CID 118381858) is 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)n1)c1n[nH]c2ccc(-c3cncc(NC(=O)C4CC4)c3)cc12.
What is the InChIKey of 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is LEMFPIMQYVBAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O2/c24-23(25,26)18-2-1-3-19(29-18)30-22(34)20-16-9-13(6-7-17(16)31-32-20)14-8-15(11-27-10-14)28-21(33)12-4-5-12/h1-3,6-12H,4-5H2,(H,28,33)(H,31,32)(H,29,30,34).
What are the key properties of 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide?
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 466.42 g/mol, XLogP of 4.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).