3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrimidin-5-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

C30H34N8O3 — CID 90684251

IUPAC3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrimidin-5-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(C4NOC(=O)N4)nc(-c4cncnc4)c32)CC1
InChIInChI=1S/C30H34N8O3/c1-19-7-9-20(10-8-19)16-38-27-23(34-29(38)37-11-12-40-17-25(37)21-5-3-2-4-6-21)13-24(28-35-30(39)41-36-28)33-26(27)22-14-31-18-32-15-22/h2-6,13-15,18-20,25,28,36H,7-12,16-17H2,1H3,(H,35,39)/t19?,20?,25-,28?/m0/s1
InChIKeyYXFGKYPEPLEZTB-TXNOZRASSA-N
MW554.66 g/mol
LogP4.54
Rot. Bonds6

About 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrimidin-5-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrimidin-5-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684251) has the molecular formula C30H34N8O3 and a molecular weight of 554.66 g/mol. Its IUPAC name is 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrimidin-5-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrimidin-5-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID90684251
Molecular FormulaC30H34N8O3
Molecular Weight554.66 g/mol
Exact Mass554.28
IUPAC Name3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrimidin-5-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(C4NOC(=O)N4)nc(-c4cncnc4)c32)CC1
InChIInChI=1S/C30H34N8O3/c1-19-7-9-20(10-8-19)16-38-27-23(34-29(38)37-11-12-40-17-25(37)21-5-3-2-4-6-21)13-24(28-35-30(39)41-36-28)33-26(27)22-14-31-18-32-15-22/h2-6,13-15,18-20,25,28,36H,7-12,16-17H2,1H3,(H,35,39)/t19?,20?,25-,28?/m0/s1
InChIKeyYXFGKYPEPLEZTB-TXNOZRASSA-N
XLogP4.54
TPSA119.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.66
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrimidin-5-ylimidazo[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-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrimidin-5-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The IUPAC name of 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrimidin-5-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684251) is 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrimidin-5-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.
What is the SMILES notation for 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrimidin-5-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrimidin-5-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CC1CCC(Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(C4NOC(=O)N4)nc(-c4cncnc4)c32)CC1.
What is the InChIKey of 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrimidin-5-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is YXFGKYPEPLEZTB-TXNOZRASSA-N. The full InChI is InChI=1S/C30H34N8O3/c1-19-7-9-20(10-8-19)16-38-27-23(34-29(38)37-11-12-40-17-25(37)21-5-3-2-4-6-21)13-24(28-35-30(39)41-36-28)33-26(27)22-14-31-18-32-15-22/h2-6,13-15,18-20,25,28,36H,7-12,16-17H2,1H3,(H,35,39)/t19?,20?,25-,28?/m0/s1.
What are the key properties of 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrimidin-5-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrimidin-5-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 554.66 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrimidin-5-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).