4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide

C26H32F3N7O5 — CID 171790666

IUPAC4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCC1CCC([C@H](NC(=O)c2nonc2C2CC2)C(=O)Nc2cc(C(CO)N3C[C@@H](C(F)(F)F)NC3=O)ccn2)CC1
InChIInChI=1S/C26H32F3N7O5/c1-13-2-4-15(5-3-13)21(33-24(39)22-20(14-6-7-14)34-41-35-22)23(38)32-19-10-16(8-9-30-19)17(12-37)36-11-18(26(27,28)29)31-25(36)40/h8-10,13-15,17-18,21,37H,2-7,11-12H2,1H3,(H,31,40)(H,33,39)(H,30,32,38)/t13?,15?,17?,18-,21-/m0/s1
InChIKeyQQLKPAZWYCOZDW-BHYYXNJZSA-N
MW579.58 g/mol
LogP2.89
Rot. Bonds9

About 4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide

4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 171790666) has the molecular formula C26H32F3N7O5 and a molecular weight of 579.58 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID171790666
Molecular FormulaC26H32F3N7O5
Molecular Weight579.58 g/mol
Exact Mass579.24
IUPAC Name4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCC1CCC([C@H](NC(=O)c2nonc2C2CC2)C(=O)Nc2cc(C(CO)N3C[C@@H](C(F)(F)F)NC3=O)ccn2)CC1
InChIInChI=1S/C26H32F3N7O5/c1-13-2-4-15(5-3-13)21(33-24(39)22-20(14-6-7-14)34-41-35-22)23(38)32-19-10-16(8-9-30-19)17(12-37)36-11-18(26(27,28)29)31-25(36)40/h8-10,13-15,17-18,21,37H,2-7,11-12H2,1H3,(H,31,40)(H,33,39)(H,30,32,38)/t13?,15?,17?,18-,21-/m0/s1
InChIKeyQQLKPAZWYCOZDW-BHYYXNJZSA-N
XLogP2.89
TPSA162.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.58
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide (CID 171790666) is 4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide is CC1CCC([C@H](NC(=O)c2nonc2C2CC2)C(=O)Nc2cc(C(CO)N3C[C@@H](C(F)(F)F)NC3=O)ccn2)CC1.
What is the InChIKey of 4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is QQLKPAZWYCOZDW-BHYYXNJZSA-N. The full InChI is InChI=1S/C26H32F3N7O5/c1-13-2-4-15(5-3-13)21(33-24(39)22-20(14-6-7-14)34-41-35-22)23(38)32-19-10-16(8-9-30-19)17(12-37)36-11-18(26(27,28)29)31-25(36)40/h8-10,13-15,17-18,21,37H,2-7,11-12H2,1H3,(H,31,40)(H,33,39)(H,30,32,38)/t13?,15?,17?,18-,21-/m0/s1.
What are the key properties of 4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide?
4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 579.58 g/mol, XLogP of 2.89, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 171790666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).