(4S)-N-[(R)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide

C20H18ClF3N4O3 — CID 162520833

IUPAC(4S)-N-[(R)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@H](c2ccc(OC(F)(F)F)cc2)c2ccc(Cl)c(C3CC3)n2)N1
InChIInChI=1S/C20H18ClF3N4O3/c21-13-7-8-14(26-16(13)10-1-2-10)17(28-18(29)15-9-25-19(30)27-15)11-3-5-12(6-4-11)31-20(22,23)24/h3-8,10,15,17H,1-2,9H2,(H,28,29)(H2,25,27,30)/t15-,17+/m0/s1
InChIKeyFTFDCHIJNZAHRH-DOTOQJQBSA-N
MW454.84 g/mol
LogP3.40
Rot. Bonds6

About (4S)-N-[(R)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(R)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162520833) has the molecular formula C20H18ClF3N4O3 and a molecular weight of 454.84 g/mol. Its IUPAC name is (4S)-N-[(R)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(R)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162520833
Molecular FormulaC20H18ClF3N4O3
Molecular Weight454.84 g/mol
Exact Mass454.10
IUPAC Name(4S)-N-[(R)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@H](c2ccc(OC(F)(F)F)cc2)c2ccc(Cl)c(C3CC3)n2)N1
InChIInChI=1S/C20H18ClF3N4O3/c21-13-7-8-14(26-16(13)10-1-2-10)17(28-18(29)15-9-25-19(30)27-15)11-3-5-12(6-4-11)31-20(22,23)24/h3-8,10,15,17H,1-2,9H2,(H,28,29)(H2,25,27,30)/t15-,17+/m0/s1
InChIKeyFTFDCHIJNZAHRH-DOTOQJQBSA-N
XLogP3.40
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.84
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(R)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(R)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 162520833) is (4S)-N-[(R)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(R)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(R)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)N[C@H](c2ccc(OC(F)(F)F)cc2)c2ccc(Cl)c(C3CC3)n2)N1.
What is the InChIKey of (4S)-N-[(R)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is FTFDCHIJNZAHRH-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H18ClF3N4O3/c21-13-7-8-14(26-16(13)10-1-2-10)17(28-18(29)15-9-25-19(30)27-15)11-3-5-12(6-4-11)31-20(22,23)24/h3-8,10,15,17H,1-2,9H2,(H,28,29)(H2,25,27,30)/t15-,17+/m0/s1.
What are the key properties of (4S)-N-[(R)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(R)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 454.84 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(R)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162520833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).