3-[4-(5-chloro-3-pyridinyl)-3-methyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;methylcyclohexane

C29H33ClN8O3 — CID 144652471

IUPAC3-[4-(5-chloro-3-pyridinyl)-3-methyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;methylcyclohexane
SMILESCC1CCCCC1.Cc1cc(C2CCCN2c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C)on1
InChIInChI=1S/C22H19ClN8O3.C7H14/c1-11-6-17(33-28-11)16-4-3-5-31(16)21-26-14-8-15(20-27-22(32)34-29-20)25-18(19(14)30(21)2)12-7-13(23)10-24-9-12;1-7-5-3-2-4-6-7/h6-10,16H,3-5H2,1-2H3,(H,27,29,32);7H,2-6H2,1H3
InChIKeyBXUHFNBKSZNLQV-UHFFFAOYSA-N
MW577.09 g/mol
LogP6.25
Rot. Bonds4

About 3-[4-(5-chloro-3-pyridinyl)-3-methyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;methylcyclohexane

3-[4-(5-chloro-3-pyridinyl)-3-methyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;methylcyclohexane (PubChem CID 144652471) 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-methyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;methylcyclohexane.

Molecular Properties

Compound Name3-[4-(5-chloro-3-pyridinyl)-3-methyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;methylcyclohexane
PubChem CID144652471
Molecular FormulaC29H33ClN8O3
Molecular Weight577.09 g/mol
Exact Mass576.24
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-3-methyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;methylcyclohexane
SMILESCC1CCCCC1.Cc1cc(C2CCCN2c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C)on1
InChIInChI=1S/C22H19ClN8O3.C7H14/c1-11-6-17(33-28-11)16-4-3-5-31(16)21-26-14-8-15(20-27-22(32)34-29-20)25-18(19(14)30(21)2)12-7-13(23)10-24-9-12;1-7-5-3-2-4-6-7/h6-10,16H,3-5H2,1-2H3,(H,27,29,32);7H,2-6H2,1H3
InChIKeyBXUHFNBKSZNLQV-UHFFFAOYSA-N
XLogP6.25
TPSA131.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.09
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[4-(5-chloro-3-pyridinyl)-3-methyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;methylcyclohexane with MolForge

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Related Compounds

1-Cyclopropyl-3-[[1-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 71520288
3-[4-(5-Chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
CID 90684076
3-[4-(5-Chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
CID 90684060
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
3-[4-(5-Chloro-3-pyridinyl)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
CID 90684075
3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136216207
3-[4-(5-chloro-3-pyridinyl)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136216248
3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136216284
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]-4H-1,2,4-oxadiazol-5-one
CID 136640370
3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 162173834
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 44192653
2-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)-N-(3-methylisoxazol-5-yl)acetamide
CID 57897213

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-3-methyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;methylcyclohexane?
The IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-3-methyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;methylcyclohexane (CID 144652471) is 3-[4-(5-chloro-3-pyridinyl)-3-methyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;methylcyclohexane.
What is the SMILES notation for 3-[4-(5-chloro-3-pyridinyl)-3-methyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;methylcyclohexane?
The canonical SMILES for 3-[4-(5-chloro-3-pyridinyl)-3-methyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;methylcyclohexane is CC1CCCCC1.Cc1cc(C2CCCN2c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C)on1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-3-methyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;methylcyclohexane?
The InChIKey is BXUHFNBKSZNLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN8O3.C7H14/c1-11-6-17(33-28-11)16-4-3-5-31(16)21-26-14-8-15(20-27-22(32)34-29-20)25-18(19(14)30(21)2)12-7-13(23)10-24-9-12;1-7-5-3-2-4-6-7/h6-10,16H,3-5H2,1-2H3,(H,27,29,32);7H,2-6H2,1H3.
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-3-methyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;methylcyclohexane?
3-[4-(5-chloro-3-pyridinyl)-3-methyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;methylcyclohexane has a molecular weight of 577.09 g/mol, XLogP of 6.25, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-3-methyl-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;methylcyclohexane is sourced from PubChem (CID 144652471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).