(4R)-4-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-2-azabicyclo[4.1.0]heptane-2-carboxamide

C19H22F4N4O3 — CID 170731732

IUPAC(4R)-4-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-2-azabicyclo[4.1.0]heptane-2-carboxamide
SMILESNC(=O)N1C[C@H](N(C(=O)NCc2ccc(OC(F)(F)F)cc2F)C2CC2)CC2CC21
InChIInChI=1S/C19H22F4N4O3/c20-15-7-14(30-19(21,22)23)4-1-10(15)8-25-18(29)27(12-2-3-12)13-5-11-6-16(11)26(9-13)17(24)28/h1,4,7,11-13,16H,2-3,5-6,8-9H2,(H2,24,28)(H,25,29)/t11?,13-,16?/m1/s1
InChIKeyNLDABHGTTSZJPT-RYCVTPFZSA-N
MW430.40 g/mol
LogP2.94
Rot. Bonds5

About (4R)-4-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-2-azabicyclo[4.1.0]heptane-2-carboxamide

(4R)-4-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-2-azabicyclo[4.1.0]heptane-2-carboxamide (PubChem CID 170731732) has the molecular formula C19H22F4N4O3 and a molecular weight of 430.40 g/mol. Its IUPAC name is (4R)-4-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-2-azabicyclo[4.1.0]heptane-2-carboxamide.

Molecular Properties

Compound Name(4R)-4-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-2-azabicyclo[4.1.0]heptane-2-carboxamide
PubChem CID170731732
Molecular FormulaC19H22F4N4O3
Molecular Weight430.40 g/mol
Exact Mass430.16
IUPAC Name(4R)-4-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-2-azabicyclo[4.1.0]heptane-2-carboxamide
SMILESNC(=O)N1C[C@H](N(C(=O)NCc2ccc(OC(F)(F)F)cc2F)C2CC2)CC2CC21
InChIInChI=1S/C19H22F4N4O3/c20-15-7-14(30-19(21,22)23)4-1-10(15)8-25-18(29)27(12-2-3-12)13-5-11-6-16(11)26(9-13)17(24)28/h1,4,7,11-13,16H,2-3,5-6,8-9H2,(H2,24,28)(H,25,29)/t11?,13-,16?/m1/s1
InChIKeyNLDABHGTTSZJPT-RYCVTPFZSA-N
XLogP2.94
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-2-azabicyclo[4.1.0]heptane-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

ethane;methyl (1Z)-3-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-5-(hydroxymethyl)piperidine-1-carbohydrazonate
CID 171091707
[(3S,5R)-5-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-1-(methylcarbamoyl)piperidin-3-yl] 2-methylpropanoate
CID 171091878
1-[(3R,5R)-1-acetyl-5-(cyanomethyl)piperidin-3-yl]-1-cyclopropyl-3-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]urea
CID 171091974
3-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-5-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 171091674
amino 3-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboximidate
CID 171091769
(3S,5R)-3-(acetamidomethyl)-5-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide
CID 171091745
1-cyclopropyl-3-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-[(3R,5S)-5-(hydroxymethyl)-1-(1,3,4-oxadiazol-2-yl)piperidin-3-yl]urea
CID 171091439
(3R,5R)-3-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-5-hydroxy-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-5-(2-hydroxypropan-2-yl)-N-methylpiperidine-1-carboxamide
CID 171091653
(3R)-3-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-N-(2-hydroxyethyl)piperidine-1-carboxamide
CID 165120152
(3R,5R)-3-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-5-[2-(dimethylamino)-2-oxoethyl]-N-methylpiperidine-1-carboxamide
CID 171091815
[(3S,5R)-5-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-1-(methylcarbamoyl)piperidin-3-yl]methyl benzoate
CID 171091453
1-cyclopropyl-3-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-[(3R,5S)-5-(hydroxymethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]urea
CID 171091514

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-2-azabicyclo[4.1.0]heptane-2-carboxamide?
The IUPAC name of (4R)-4-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-2-azabicyclo[4.1.0]heptane-2-carboxamide (CID 170731732) is (4R)-4-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-2-azabicyclo[4.1.0]heptane-2-carboxamide.
What is the SMILES notation for (4R)-4-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-2-azabicyclo[4.1.0]heptane-2-carboxamide?
The canonical SMILES for (4R)-4-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-2-azabicyclo[4.1.0]heptane-2-carboxamide is NC(=O)N1C[C@H](N(C(=O)NCc2ccc(OC(F)(F)F)cc2F)C2CC2)CC2CC21.
What is the InChIKey of (4R)-4-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-2-azabicyclo[4.1.0]heptane-2-carboxamide?
The InChIKey is NLDABHGTTSZJPT-RYCVTPFZSA-N. The full InChI is InChI=1S/C19H22F4N4O3/c20-15-7-14(30-19(21,22)23)4-1-10(15)8-25-18(29)27(12-2-3-12)13-5-11-6-16(11)26(9-13)17(24)28/h1,4,7,11-13,16H,2-3,5-6,8-9H2,(H2,24,28)(H,25,29)/t11?,13-,16?/m1/s1.
What are the key properties of (4R)-4-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-2-azabicyclo[4.1.0]heptane-2-carboxamide?
(4R)-4-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-2-azabicyclo[4.1.0]heptane-2-carboxamide has a molecular weight of 430.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-2-azabicyclo[4.1.0]heptane-2-carboxamide is sourced from PubChem (CID 170731732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).