1-(difluoromethyl)cyclopropan-1-amine;2-pyridin-3-ylindazole-4-carboxylic acid

C17H16F2N4O2 — CID 162110013

IUPAC1-(difluoromethyl)cyclopropan-1-amine;2-pyridin-3-ylindazole-4-carboxylic acid
SMILESNC1(C(F)F)CC1.O=C(O)c1cccc2nn(-c3cccnc3)cc12
InChIInChI=1S/C13H9N3O2.C4H7F2N/c17-13(18)10-4-1-5-12-11(10)8-16(15-12)9-3-2-6-14-7-9;5-3(6)4(7)1-2-4/h1-8H,(H,17,18);3H,1-2,7H2
InChIKeyZGAHVQGQJXZXFS-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.86
Rot. Bonds3

About 1-(difluoromethyl)cyclopropan-1-amine;2-pyridin-3-ylindazole-4-carboxylic acid

1-(difluoromethyl)cyclopropan-1-amine;2-pyridin-3-ylindazole-4-carboxylic acid (PubChem CID 162110013) has the molecular formula C17H16F2N4O2 and a molecular weight of 346.34 g/mol. Its IUPAC name is 1-(difluoromethyl)cyclopropan-1-amine;2-pyridin-3-ylindazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(difluoromethyl)cyclopropan-1-amine;2-pyridin-3-ylindazole-4-carboxylic acid
PubChem CID162110013
Molecular FormulaC17H16F2N4O2
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name1-(difluoromethyl)cyclopropan-1-amine;2-pyridin-3-ylindazole-4-carboxylic acid
SMILESNC1(C(F)F)CC1.O=C(O)c1cccc2nn(-c3cccnc3)cc12
InChIInChI=1S/C13H9N3O2.C4H7F2N/c17-13(18)10-4-1-5-12-11(10)8-16(15-12)9-3-2-6-14-7-9;5-3(6)4(7)1-2-4/h1-8H,(H,17,18);3H,1-2,7H2
InChIKeyZGAHVQGQJXZXFS-UHFFFAOYSA-N
XLogP2.86
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-pyridin-3-ylindazol-4-yl)ethanone
CID 122516362
3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
CID 67456871
7-fluoro-2-pyridin-3-ylindazole-4-carboxylic acid;2-methylpentan-2-amine
CID 167604448
2-oxo-1-pyridin-3-ylpyridine-3-carboxylic acid
CID 21081587
1-pyridin-3-yl-1,2,4-triazole-3-carboxylic acid
CID 76845333
5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid
CID 58072535
2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid
CID 59214672
1-pyridin-3-ylindole-3-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 160804799
3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid
CID 115932984
3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride
CID 146381573
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
2-pyridin-3-yl-4H-pyrazolo[4,3-b]pyridin-5-one
CID 121320233

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)cyclopropan-1-amine;2-pyridin-3-ylindazole-4-carboxylic acid?
The IUPAC name of 1-(difluoromethyl)cyclopropan-1-amine;2-pyridin-3-ylindazole-4-carboxylic acid (CID 162110013) is 1-(difluoromethyl)cyclopropan-1-amine;2-pyridin-3-ylindazole-4-carboxylic acid.
What is the SMILES notation for 1-(difluoromethyl)cyclopropan-1-amine;2-pyridin-3-ylindazole-4-carboxylic acid?
The canonical SMILES for 1-(difluoromethyl)cyclopropan-1-amine;2-pyridin-3-ylindazole-4-carboxylic acid is NC1(C(F)F)CC1.O=C(O)c1cccc2nn(-c3cccnc3)cc12.
What is the InChIKey of 1-(difluoromethyl)cyclopropan-1-amine;2-pyridin-3-ylindazole-4-carboxylic acid?
The InChIKey is ZGAHVQGQJXZXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2.C4H7F2N/c17-13(18)10-4-1-5-12-11(10)8-16(15-12)9-3-2-6-14-7-9;5-3(6)4(7)1-2-4/h1-8H,(H,17,18);3H,1-2,7H2.
What are the key properties of 1-(difluoromethyl)cyclopropan-1-amine;2-pyridin-3-ylindazole-4-carboxylic acid?
1-(difluoromethyl)cyclopropan-1-amine;2-pyridin-3-ylindazole-4-carboxylic acid has a molecular weight of 346.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)cyclopropan-1-amine;2-pyridin-3-ylindazole-4-carboxylic acid is sourced from PubChem (CID 162110013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).