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

C29H33ClN8O3 — CID 90684074

IUPAC3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCc1cc(C2CCCN2c2nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)on1
InChIInChI=1S/C29H33ClN8O3/c1-16-5-7-18(8-6-16)15-38-26-21(33-28(38)37-9-3-4-23(37)24-10-17(2)35-40-24)12-22(27-34-29(39)41-36-27)32-25(26)19-11-20(30)14-31-13-19/h10-14,16,18,23,27,36H,3-9,15H2,1-2H3,(H,34,39)
InChIKeyVNGJXMDNBDOBNY-UHFFFAOYSA-N
MW577.09 g/mol
LogP5.85
Rot. Bonds6

About 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)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-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684074) has the molecular formula C29H33ClN8O3 and a molecular weight of 577.09 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)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-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID90684074
Molecular FormulaC29H33ClN8O3
Molecular Weight577.09 g/mol
Exact Mass576.24
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCc1cc(C2CCCN2c2nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)on1
InChIInChI=1S/C29H33ClN8O3/c1-16-5-7-18(8-6-16)15-38-26-21(33-28(38)37-9-3-4-23(37)24-10-17(2)35-40-24)12-22(27-34-29(39)41-36-27)32-25(26)19-11-20(30)14-31-13-19/h10-14,16,18,23,27,36H,3-9,15H2,1-2H3,(H,34,39)
InChIKeyVNGJXMDNBDOBNY-UHFFFAOYSA-N
XLogP5.85
TPSA123.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.09
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)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-(3-methyl-1,2-oxazol-5-yl)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-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684074) is 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)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-(3-methyl-1,2-oxazol-5-yl)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-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is Cc1cc(C2CCCN2c2nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)on1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is VNGJXMDNBDOBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN8O3/c1-16-5-7-18(8-6-16)15-38-26-21(33-28(38)37-9-3-4-23(37)24-10-17(2)35-40-24)12-22(27-34-29(39)41-36-27)32-25(26)19-11-20(30)14-31-13-19/h10-14,16,18,23,27,36H,3-9,15H2,1-2H3,(H,34,39).
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)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-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 577.09 g/mol, XLogP of 5.85, 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-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).