cyclopropyl (2R)-2-[2-[(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-1H-imidazo[4,5-b]pyridin-5-yl]-4-(trifluoromethyl)piperidine-1-carboxylate

C27H30F5N7O4 — CID 156838999

IUPACcyclopropyl (2R)-2-[2-[(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-1H-imidazo[4,5-b]pyridin-5-yl]-4-(trifluoromethyl)piperidine-1-carboxylate
SMILESCc1nonc1C(=O)NC(c1nc2nc([C@H]3CC(C(F)(F)F)CCN3C(=O)OC3CC3)ccc2[nH]1)C1CCC(F)(F)CC1
InChIInChI=1S/C27H30F5N7O4/c1-13-20(38-43-37-13)24(40)35-21(14-6-9-26(28,29)10-7-14)23-34-18-5-4-17(33-22(18)36-23)19-12-15(27(30,31)32)8-11-39(19)25(41)42-16-2-3-16/h4-5,14-16,19,21H,2-3,6-12H2,1H3,(H,35,40)(H,33,34,36)/t15?,19-,21?/m1/s1
InChIKeyMIWRGMDAYMWELI-QOSBUDKSSA-N
MW611.57 g/mol
LogP5.56
Rot. Bonds6

About cyclopropyl (2R)-2-[2-[(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-1H-imidazo[4,5-b]pyridin-5-yl]-4-(trifluoromethyl)piperidine-1-carboxylate

cyclopropyl (2R)-2-[2-[(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-1H-imidazo[4,5-b]pyridin-5-yl]-4-(trifluoromethyl)piperidine-1-carboxylate (PubChem CID 156838999) has the molecular formula C27H30F5N7O4 and a molecular weight of 611.57 g/mol. Its IUPAC name is cyclopropyl (2R)-2-[2-[(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-1H-imidazo[4,5-b]pyridin-5-yl]-4-(trifluoromethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namecyclopropyl (2R)-2-[2-[(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-1H-imidazo[4,5-b]pyridin-5-yl]-4-(trifluoromethyl)piperidine-1-carboxylate
PubChem CID156838999
Molecular FormulaC27H30F5N7O4
Molecular Weight611.57 g/mol
Exact Mass611.23
IUPAC Namecyclopropyl (2R)-2-[2-[(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-1H-imidazo[4,5-b]pyridin-5-yl]-4-(trifluoromethyl)piperidine-1-carboxylate
SMILESCc1nonc1C(=O)NC(c1nc2nc([C@H]3CC(C(F)(F)F)CCN3C(=O)OC3CC3)ccc2[nH]1)C1CCC(F)(F)CC1
InChIInChI=1S/C27H30F5N7O4/c1-13-20(38-43-37-13)24(40)35-21(14-6-9-26(28,29)10-7-14)23-34-18-5-4-17(33-22(18)36-23)19-12-15(27(30,31)32)8-11-39(19)25(41)42-16-2-3-16/h4-5,14-16,19,21H,2-3,6-12H2,1H3,(H,35,40)(H,33,34,36)/t15?,19-,21?/m1/s1
InChIKeyMIWRGMDAYMWELI-QOSBUDKSSA-N
XLogP5.56
TPSA139.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.57
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze cyclopropyl (2R)-2-[2-[(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-1H-imidazo[4,5-b]pyridin-5-yl]-4-(trifluoromethyl)piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl (2R)-2-[2-[(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-1H-imidazo[4,5-b]pyridin-5-yl]-4-(trifluoromethyl)piperidine-1-carboxylate?
The IUPAC name of cyclopropyl (2R)-2-[2-[(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-1H-imidazo[4,5-b]pyridin-5-yl]-4-(trifluoromethyl)piperidine-1-carboxylate (CID 156838999) is cyclopropyl (2R)-2-[2-[(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-1H-imidazo[4,5-b]pyridin-5-yl]-4-(trifluoromethyl)piperidine-1-carboxylate.
What is the SMILES notation for cyclopropyl (2R)-2-[2-[(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-1H-imidazo[4,5-b]pyridin-5-yl]-4-(trifluoromethyl)piperidine-1-carboxylate?
The canonical SMILES for cyclopropyl (2R)-2-[2-[(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-1H-imidazo[4,5-b]pyridin-5-yl]-4-(trifluoromethyl)piperidine-1-carboxylate is Cc1nonc1C(=O)NC(c1nc2nc([C@H]3CC(C(F)(F)F)CCN3C(=O)OC3CC3)ccc2[nH]1)C1CCC(F)(F)CC1.
What is the InChIKey of cyclopropyl (2R)-2-[2-[(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-1H-imidazo[4,5-b]pyridin-5-yl]-4-(trifluoromethyl)piperidine-1-carboxylate?
The InChIKey is MIWRGMDAYMWELI-QOSBUDKSSA-N. The full InChI is InChI=1S/C27H30F5N7O4/c1-13-20(38-43-37-13)24(40)35-21(14-6-9-26(28,29)10-7-14)23-34-18-5-4-17(33-22(18)36-23)19-12-15(27(30,31)32)8-11-39(19)25(41)42-16-2-3-16/h4-5,14-16,19,21H,2-3,6-12H2,1H3,(H,35,40)(H,33,34,36)/t15?,19-,21?/m1/s1.
What are the key properties of cyclopropyl (2R)-2-[2-[(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-1H-imidazo[4,5-b]pyridin-5-yl]-4-(trifluoromethyl)piperidine-1-carboxylate?
cyclopropyl (2R)-2-[2-[(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-1H-imidazo[4,5-b]pyridin-5-yl]-4-(trifluoromethyl)piperidine-1-carboxylate has a molecular weight of 611.57 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl (2R)-2-[2-[(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-1H-imidazo[4,5-b]pyridin-5-yl]-4-(trifluoromethyl)piperidine-1-carboxylate is sourced from PubChem (CID 156838999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).