(3R)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-(dimethylamino)-N-(1-methylindazol-6-yl)pyrrolidine-1-carboxamide

C25H26F3N7O2 — CID 140894071

IUPAC(3R)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-(dimethylamino)-N-(1-methylindazol-6-yl)pyrrolidine-1-carboxamide
SMILESCN(C)[C@@H]1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)c2ccc3cnn(C)c3c2)C1
InChIInChI=1S/C25H26F3N7O2/c1-32(2)19-8-9-34(14-19)25(36)35(18-7-6-16-12-29-33(3)21(16)11-18)13-17-5-4-15(10-20(17)26)23-30-31-24(37-23)22(27)28/h4-7,10-12,19,22H,8-9,13-14H2,1-3H3/t19-/m1/s1
InChIKeyVWGHPFXUSCLZJD-LJQANCHMSA-N
MW513.52 g/mol
LogP4.46
Rot. Bonds6

About (3R)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-(dimethylamino)-N-(1-methylindazol-6-yl)pyrrolidine-1-carboxamide

(3R)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-(dimethylamino)-N-(1-methylindazol-6-yl)pyrrolidine-1-carboxamide (PubChem CID 140894071) has the molecular formula C25H26F3N7O2 and a molecular weight of 513.52 g/mol. Its IUPAC name is (3R)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-(dimethylamino)-N-(1-methylindazol-6-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-(dimethylamino)-N-(1-methylindazol-6-yl)pyrrolidine-1-carboxamide
PubChem CID140894071
Molecular FormulaC25H26F3N7O2
Molecular Weight513.52 g/mol
Exact Mass513.21
IUPAC Name(3R)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-(dimethylamino)-N-(1-methylindazol-6-yl)pyrrolidine-1-carboxamide
SMILESCN(C)[C@@H]1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)c2ccc3cnn(C)c3c2)C1
InChIInChI=1S/C25H26F3N7O2/c1-32(2)19-8-9-34(14-19)25(36)35(18-7-6-16-12-29-33(3)21(16)11-18)13-17-5-4-15(10-20(17)26)23-30-31-24(37-23)22(27)28/h4-7,10-12,19,22H,8-9,13-14H2,1-3H3/t19-/m1/s1
InChIKeyVWGHPFXUSCLZJD-LJQANCHMSA-N
XLogP4.46
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.52
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-(dimethylamino)-N-(1-methylindazol-6-yl)pyrrolidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-(dimethylamino)-N-(1-methylindazol-6-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-(dimethylamino)-N-(1-methylindazol-6-yl)pyrrolidine-1-carboxamide (CID 140894071) is (3R)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-(dimethylamino)-N-(1-methylindazol-6-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-(dimethylamino)-N-(1-methylindazol-6-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-(dimethylamino)-N-(1-methylindazol-6-yl)pyrrolidine-1-carboxamide is CN(C)[C@@H]1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)c2ccc3cnn(C)c3c2)C1.
What is the InChIKey of (3R)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-(dimethylamino)-N-(1-methylindazol-6-yl)pyrrolidine-1-carboxamide?
The InChIKey is VWGHPFXUSCLZJD-LJQANCHMSA-N. The full InChI is InChI=1S/C25H26F3N7O2/c1-32(2)19-8-9-34(14-19)25(36)35(18-7-6-16-12-29-33(3)21(16)11-18)13-17-5-4-15(10-20(17)26)23-30-31-24(37-23)22(27)28/h4-7,10-12,19,22H,8-9,13-14H2,1-3H3/t19-/m1/s1.
What are the key properties of (3R)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-(dimethylamino)-N-(1-methylindazol-6-yl)pyrrolidine-1-carboxamide?
(3R)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-(dimethylamino)-N-(1-methylindazol-6-yl)pyrrolidine-1-carboxamide has a molecular weight of 513.52 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-(dimethylamino)-N-(1-methylindazol-6-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 140894071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).