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

C24H27ClF3N7O2 — CID 90684086

IUPAC3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(N(C)CC(F)(F)F)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C24H27ClF3N7O2/c1-13-3-5-14(6-4-13)11-35-20-17(31-22(35)34(2)12-24(26,27)28)8-18(21-32-23(36)37-33-21)30-19(20)15-7-16(25)10-29-9-15/h7-10,13-14,21,33H,3-6,11-12H2,1-2H3,(H,32,36)
InChIKeyHXQYGPHKPINWNY-UHFFFAOYSA-N
MW537.97 g/mol
LogP5.21
Rot. Bonds6

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

3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684086) has the molecular formula C24H27ClF3N7O2 and a molecular weight of 537.97 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]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-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID90684086
Molecular FormulaC24H27ClF3N7O2
Molecular Weight537.97 g/mol
Exact Mass537.19
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(N(C)CC(F)(F)F)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C24H27ClF3N7O2/c1-13-3-5-14(6-4-13)11-35-20-17(31-22(35)34(2)12-24(26,27)28)8-18(21-32-23(36)37-33-21)30-19(20)15-7-16(25)10-29-9-15/h7-10,13-14,21,33H,3-6,11-12H2,1-2H3,(H,32,36)
InChIKeyHXQYGPHKPINWNY-UHFFFAOYSA-N
XLogP5.21
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.97
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]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-[methyl(2,2,2-trifluoroethyl)amino]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-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684086) is 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]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-[methyl(2,2,2-trifluoroethyl)amino]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-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CC1CCC(Cn2c(N(C)CC(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-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is HXQYGPHKPINWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF3N7O2/c1-13-3-5-14(6-4-13)11-35-20-17(31-22(35)34(2)12-24(26,27)28)8-18(21-32-23(36)37-33-21)30-19(20)15-7-16(25)10-29-9-15/h7-10,13-14,21,33H,3-6,11-12H2,1-2H3,(H,32,36).
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 537.97 g/mol, XLogP of 5.21, 6 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-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).