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

C29H35ClF2N8O3 — CID 90684173

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(2,2-difluoroacetyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(N3[C@H](C)CN(C(=O)C(F)F)C[C@H]3C)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C29H35ClF2N8O3/c1-15-4-6-18(7-5-15)14-39-24-21(35-28(39)40-16(2)12-38(13-17(40)3)27(41)25(31)32)9-22(26-36-29(42)43-37-26)34-23(24)19-8-20(30)11-33-10-19/h8-11,15-18,25-26,37H,4-7,12-14H2,1-3H3,(H,36,42)/t15?,16-,17-,18?,26?/m1/s1
InChIKeyLOUDQVGZAHVJRL-RVGJSYSHSA-N
MW617.10 g/mol
LogP4.91
Rot. Bonds6

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

3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(2,2-difluoroacetyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684173) has the molecular formula C29H35ClF2N8O3 and a molecular weight of 617.10 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(2,2-difluoroacetyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(2,2-difluoroacetyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID90684173
Molecular FormulaC29H35ClF2N8O3
Molecular Weight617.10 g/mol
Exact Mass616.25
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(2,2-difluoroacetyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(N3[C@H](C)CN(C(=O)C(F)F)C[C@H]3C)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C29H35ClF2N8O3/c1-15-4-6-18(7-5-15)14-39-24-21(35-28(39)40-16(2)12-38(13-17(40)3)27(41)25(31)32)9-22(26-36-29(42)43-37-26)34-23(24)19-8-20(30)11-33-10-19/h8-11,15-18,25-26,37H,4-7,12-14H2,1-3H3,(H,36,42)/t15?,16-,17-,18?,26?/m1/s1
InChIKeyLOUDQVGZAHVJRL-RVGJSYSHSA-N
XLogP4.91
TPSA117.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.10
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(2,2-difluoroacetyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]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)-2-[(2R,6R)-4-(2,2-difluoroacetyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(2,2-difluoroacetyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684173) is 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(2,2-difluoroacetyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]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)-2-[(2R,6R)-4-(2,2-difluoroacetyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(2,2-difluoroacetyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CC1CCC(Cn2c(N3[C@H](C)CN(C(=O)C(F)F)C[C@H]3C)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(2,2-difluoroacetyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is LOUDQVGZAHVJRL-RVGJSYSHSA-N. The full InChI is InChI=1S/C29H35ClF2N8O3/c1-15-4-6-18(7-5-15)14-39-24-21(35-28(39)40-16(2)12-38(13-17(40)3)27(41)25(31)32)9-22(26-36-29(42)43-37-26)34-23(24)19-8-20(30)11-33-10-19/h8-11,15-18,25-26,37H,4-7,12-14H2,1-3H3,(H,36,42)/t15?,16-,17-,18?,26?/m1/s1.
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(2,2-difluoroacetyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(2,2-difluoroacetyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 617.10 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(2,2-difluoroacetyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).