cyclopropylmethylcyclopropane;N-[2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide

C31H40F4N6O4 — CID 166470782

IUPACcyclopropylmethylcyclopropane;N-[2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESC1CC1CC1CC1.CC(C(=O)NCC(F)(F)F)c1cc(F)c(NC(=O)CNC(=O)c2ccnn2C(C)C)cc1N1CCCC1=O
InChIInChI=1S/C24H28F4N6O4.C7H12/c1-13(2)34-18(6-7-31-34)23(38)29-11-20(35)32-17-10-19(33-8-4-5-21(33)36)15(9-16(17)25)14(3)22(37)30-12-24(26,27)28;1-2-6(1)5-7-3-4-7/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3,(H,29,38)(H,30,37)(H,32,35);6-7H,1-5H2
InChIKeyFHIPUDOOLDMWBE-UHFFFAOYSA-N
MW636.69 g/mol
LogP5.08
Rot. Bonds11

About cyclopropylmethylcyclopropane;N-[2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide

cyclopropylmethylcyclopropane;N-[2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 166470782) has the molecular formula C31H40F4N6O4 and a molecular weight of 636.69 g/mol. Its IUPAC name is cyclopropylmethylcyclopropane;N-[2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Namecyclopropylmethylcyclopropane;N-[2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID166470782
Molecular FormulaC31H40F4N6O4
Molecular Weight636.69 g/mol
Exact Mass636.30
IUPAC Namecyclopropylmethylcyclopropane;N-[2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESC1CC1CC1CC1.CC(C(=O)NCC(F)(F)F)c1cc(F)c(NC(=O)CNC(=O)c2ccnn2C(C)C)cc1N1CCCC1=O
InChIInChI=1S/C24H28F4N6O4.C7H12/c1-13(2)34-18(6-7-31-34)23(38)29-11-20(35)32-17-10-19(33-8-4-5-21(33)36)15(9-16(17)25)14(3)22(37)30-12-24(26,27)28;1-2-6(1)5-7-3-4-7/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3,(H,29,38)(H,30,37)(H,32,35);6-7H,1-5H2
InChIKeyFHIPUDOOLDMWBE-UHFFFAOYSA-N
XLogP5.08
TPSA125.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.69
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze cyclopropylmethylcyclopropane;N-[2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethylcyclopropane;N-[2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of cyclopropylmethylcyclopropane;N-[2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide (CID 166470782) is cyclopropylmethylcyclopropane;N-[2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for cyclopropylmethylcyclopropane;N-[2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for cyclopropylmethylcyclopropane;N-[2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide is C1CC1CC1CC1.CC(C(=O)NCC(F)(F)F)c1cc(F)c(NC(=O)CNC(=O)c2ccnn2C(C)C)cc1N1CCCC1=O.
What is the InChIKey of cyclopropylmethylcyclopropane;N-[2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is FHIPUDOOLDMWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N6O4.C7H12/c1-13(2)34-18(6-7-31-34)23(38)29-11-20(35)32-17-10-19(33-8-4-5-21(33)36)15(9-16(17)25)14(3)22(37)30-12-24(26,27)28;1-2-6(1)5-7-3-4-7/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3,(H,29,38)(H,30,37)(H,32,35);6-7H,1-5H2.
What are the key properties of cyclopropylmethylcyclopropane;N-[2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide?
cyclopropylmethylcyclopropane;N-[2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 636.69 g/mol, XLogP of 5.08, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethylcyclopropane;N-[2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 166470782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).