N-(4-cyclopropyl-2-fluorophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-4-methoxypyrrolidine-2-carboxamide

C29H32F6N4O3 — CID 166040902

IUPACN-(4-cyclopropyl-2-fluorophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(c2ccc(C3CC3)cc2F)C(C(=O)NC2CCC(F)(F)CC2)c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C29H32F6N4O3/c1-42-19-13-23(37-14-19)27(41)39(24-5-4-17(12-22(24)30)16-2-3-16)25(20-15-36-11-8-21(20)29(33,34)35)26(40)38-18-6-9-28(31,32)10-7-18/h4-5,8,11-12,15-16,18-19,23,25,37H,2-3,6-7,9-10,13-14H2,1H3,(H,38,40)
InChIKeyMASXJHCVFVWBGP-UHFFFAOYSA-N
MW598.59 g/mol
LogP5.26
Rot. Bonds8

About N-(4-cyclopropyl-2-fluorophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-4-methoxypyrrolidine-2-carboxamide

N-(4-cyclopropyl-2-fluorophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 166040902) has the molecular formula C29H32F6N4O3 and a molecular weight of 598.59 g/mol. Its IUPAC name is N-(4-cyclopropyl-2-fluorophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-2-fluorophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID166040902
Molecular FormulaC29H32F6N4O3
Molecular Weight598.59 g/mol
Exact Mass598.24
IUPAC NameN-(4-cyclopropyl-2-fluorophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(c2ccc(C3CC3)cc2F)C(C(=O)NC2CCC(F)(F)CC2)c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C29H32F6N4O3/c1-42-19-13-23(37-14-19)27(41)39(24-5-4-17(12-22(24)30)16-2-3-16)25(20-15-36-11-8-21(20)29(33,34)35)26(40)38-18-6-9-28(31,32)10-7-18/h4-5,8,11-12,15-16,18-19,23,25,37H,2-3,6-7,9-10,13-14H2,1H3,(H,38,40)
InChIKeyMASXJHCVFVWBGP-UHFFFAOYSA-N
XLogP5.26
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.59
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-cyclopropyl-2-fluorophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-4-methoxypyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-2-fluorophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(4-cyclopropyl-2-fluorophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-4-methoxypyrrolidine-2-carboxamide (CID 166040902) is N-(4-cyclopropyl-2-fluorophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-2-fluorophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-2-fluorophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)N(c2ccc(C3CC3)cc2F)C(C(=O)NC2CCC(F)(F)CC2)c2cnccc2C(F)(F)F)C1.
What is the InChIKey of N-(4-cyclopropyl-2-fluorophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is MASXJHCVFVWBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F6N4O3/c1-42-19-13-23(37-14-19)27(41)39(24-5-4-17(12-22(24)30)16-2-3-16)25(20-15-36-11-8-21(20)29(33,34)35)26(40)38-18-6-9-28(31,32)10-7-18/h4-5,8,11-12,15-16,18-19,23,25,37H,2-3,6-7,9-10,13-14H2,1H3,(H,38,40).
What are the key properties of N-(4-cyclopropyl-2-fluorophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-4-methoxypyrrolidine-2-carboxamide?
N-(4-cyclopropyl-2-fluorophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 598.59 g/mol, XLogP of 5.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-2-fluorophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 166040902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).