cis-(1S,2R)-1-N-[1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1,2-dicarboxamide

C14H14F2N4O2 — CID 154807967

IUPACcis-(1S,2R)-1-N-[1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1,2-dicarboxamide
SMILESNC(=O)[C@@H]1C[C@@H]1C(=O)Nc1nn(CC(F)F)c2ccccc12
InChIInChI=1S/C14H14F2N4O2/c15-11(16)6-20-10-4-2-1-3-7(10)13(19-20)18-14(22)9-5-8(9)12(17)21/h1-4,8-9,11H,5-6H2,(H2,17,21)(H,18,19,22)/t8-,9+/m1/s1
InChIKeyBKAFYJCZIXCWAF-BDAKNGLRSA-N
MW308.29 g/mol
LogP1.36
Rot. Bonds5

About cis-(1S,2R)-1-N-[1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1,2-dicarboxamide

cis-(1S,2R)-1-N-[1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1,2-dicarboxamide (PubChem CID 154807967) has the molecular formula C14H14F2N4O2 and a molecular weight of 308.29 g/mol. Its IUPAC name is cis-(1S,2R)-1-N-[1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-1-N-[1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1,2-dicarboxamide
PubChem CID154807967
Molecular FormulaC14H14F2N4O2
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Namecis-(1S,2R)-1-N-[1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1,2-dicarboxamide
SMILESNC(=O)[C@@H]1C[C@@H]1C(=O)Nc1nn(CC(F)F)c2ccccc12
InChIInChI=1S/C14H14F2N4O2/c15-11(16)6-20-10-4-2-1-3-7(10)13(19-20)18-14(22)9-5-8(9)12(17)21/h1-4,8-9,11H,5-6H2,(H2,17,21)(H,18,19,22)/t8-,9+/m1/s1
InChIKeyBKAFYJCZIXCWAF-BDAKNGLRSA-N
XLogP1.36
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-1-N-[1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1,2-dicarboxamide with MolForge

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Related Compounds

N-[1-(2,2-difluoroethyl)indazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
CID 138012753
2-cyclopropyl-N-[1-(2,2-difluoroethyl)indazol-3-yl]-1,3-oxazole-5-carboxamide
CID 136573178
N-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide
CID 139018596
1-[1-(2,2-difluoroethyl)indazol-3-yl]-2-methylpropan-1-one
CID 118442196
N-[1-(cyclopropylmethyl)indazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 155916035
N-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide
CID 46988594
N-[1-(cyclopropylmethyl)indazol-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 31258923
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide
CID 24954489
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide
CID 118466751
2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide
CID 126475376
2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126603643
methyl 1-(2-methylpropyl)indazole-3-carboxylate
CID 10489745

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-N-[1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of cis-(1S,2R)-1-N-[1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1,2-dicarboxamide (CID 154807967) is cis-(1S,2R)-1-N-[1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1S,2R)-1-N-[1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for cis-(1S,2R)-1-N-[1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1,2-dicarboxamide is NC(=O)[C@@H]1C[C@@H]1C(=O)Nc1nn(CC(F)F)c2ccccc12.
What is the InChIKey of cis-(1S,2R)-1-N-[1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1,2-dicarboxamide?
The InChIKey is BKAFYJCZIXCWAF-BDAKNGLRSA-N. The full InChI is InChI=1S/C14H14F2N4O2/c15-11(16)6-20-10-4-2-1-3-7(10)13(19-20)18-14(22)9-5-8(9)12(17)21/h1-4,8-9,11H,5-6H2,(H2,17,21)(H,18,19,22)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-1-N-[1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1,2-dicarboxamide?
cis-(1S,2R)-1-N-[1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1,2-dicarboxamide has a molecular weight of 308.29 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-N-[1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 154807967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).