3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

C26H29ClF3N7O2 — CID 90684029

IUPAC3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(N3CCCC3C(F)(F)F)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C26H29ClF3N7O2/c1-14-4-6-15(7-5-14)13-37-22-18(33-24(37)36-8-2-3-20(36)26(28,29)30)10-19(23-34-25(38)39-35-23)32-21(22)16-9-17(27)12-31-11-16/h9-12,14-15,20,23,35H,2-8,13H2,1H3,(H,34,38)
InChIKeyZHPAHPYFBMGGOT-UHFFFAOYSA-N
MW564.01 g/mol
LogP5.75
Rot. Bonds5

About 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684029) has the molecular formula C26H29ClF3N7O2 and a molecular weight of 564.01 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID90684029
Molecular FormulaC26H29ClF3N7O2
Molecular Weight564.01 g/mol
Exact Mass563.20
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(N3CCCC3C(F)(F)F)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C26H29ClF3N7O2/c1-14-4-6-15(7-5-14)13-37-22-18(33-24(37)36-8-2-3-20(36)26(28,29)30)10-19(23-34-25(38)39-35-23)32-21(22)16-9-17(27)12-31-11-16/h9-12,14-15,20,23,35H,2-8,13H2,1H3,(H,34,38)
InChIKeyZHPAHPYFBMGGOT-UHFFFAOYSA-N
XLogP5.75
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.01
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684029) is 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.
What is the SMILES notation for 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CC1CCC(Cn2c(N3CCCC3C(F)(F)F)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is ZHPAHPYFBMGGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClF3N7O2/c1-14-4-6-15(7-5-14)13-37-22-18(33-24(37)36-8-2-3-20(36)26(28,29)30)10-19(23-34-25(38)39-35-23)32-21(22)16-9-17(27)12-31-11-16/h9-12,14-15,20,23,35H,2-8,13H2,1H3,(H,34,38).
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 564.01 g/mol, XLogP of 5.75, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).