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

C30H33ClN8O3 — CID 90684125

IUPAC3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-pyridin-2-ylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(N3CCOC[C@H]3c3ccccn3)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C30H33ClN8O3/c1-18-5-7-19(8-6-18)16-39-27-23(35-29(39)38-10-11-41-17-25(38)22-4-2-3-9-33-22)13-24(28-36-30(40)42-37-28)34-26(27)20-12-21(31)15-32-14-20/h2-4,9,12-15,18-19,25,28,37H,5-8,10-11,16-17H2,1H3,(H,36,40)/t18?,19?,25-,28?/m0/s1
InChIKeyPFUWOJRRKAEELK-CIPYMUFESA-N
MW589.10 g/mol
LogP5.19
Rot. Bonds6

About 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-pyridin-2-ylmorpholin-4-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-[(3R)-3-pyridin-2-ylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684125) has the molecular formula C30H33ClN8O3 and a molecular weight of 589.10 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-pyridin-2-ylmorpholin-4-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-[(3R)-3-pyridin-2-ylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID90684125
Molecular FormulaC30H33ClN8O3
Molecular Weight589.10 g/mol
Exact Mass588.24
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-pyridin-2-ylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(N3CCOC[C@H]3c3ccccn3)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C30H33ClN8O3/c1-18-5-7-19(8-6-18)16-39-27-23(35-29(39)38-10-11-41-17-25(38)22-4-2-3-9-33-22)13-24(28-36-30(40)42-37-28)34-26(27)20-12-21(31)15-32-14-20/h2-4,9,12-15,18-19,25,28,37H,5-8,10-11,16-17H2,1H3,(H,36,40)/t18?,19?,25-,28?/m0/s1
InChIKeyPFUWOJRRKAEELK-CIPYMUFESA-N
XLogP5.19
TPSA119.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.10
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-pyridin-2-ylmorpholin-4-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-[(3R)-3-pyridin-2-ylmorpholin-4-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-[(3R)-3-pyridin-2-ylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684125) is 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-pyridin-2-ylmorpholin-4-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-[(3R)-3-pyridin-2-ylmorpholin-4-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-[(3R)-3-pyridin-2-ylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CC1CCC(Cn2c(N3CCOC[C@H]3c3ccccn3)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-[(3R)-3-pyridin-2-ylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is PFUWOJRRKAEELK-CIPYMUFESA-N. The full InChI is InChI=1S/C30H33ClN8O3/c1-18-5-7-19(8-6-18)16-39-27-23(35-29(39)38-10-11-41-17-25(38)22-4-2-3-9-33-22)13-24(28-36-30(40)42-37-28)34-26(27)20-12-21(31)15-32-14-20/h2-4,9,12-15,18-19,25,28,37H,5-8,10-11,16-17H2,1H3,(H,36,40)/t18?,19?,25-,28?/m0/s1.
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-pyridin-2-ylmorpholin-4-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-[(3R)-3-pyridin-2-ylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 589.10 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-pyridin-2-ylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).