3-[4-(5-chloro-3-pyridinyl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-[(1R)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

C28H33ClN6O3 — CID 156905840

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-[(1R)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILESCCO[C@@H](c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@H](C)C1CCC(C)CC1)C1CC1
InChIInChI=1S/C28H33ClN6O3/c1-4-37-25(18-9-10-18)27-32-21-12-22(26-33-28(36)38-34-26)31-23(19-11-20(29)14-30-13-19)24(21)35(27)16(3)17-7-5-15(2)6-8-17/h11-18,25H,4-10H2,1-3H3,(H,33,34,36)/t15?,16-,17?,25-/m1/s1
InChIKeyPJGMHURMTNPVFZ-NYWAFEGCSA-N
MW537.06 g/mol
LogP6.36
Rot. Bonds8

About 3-[4-(5-chloro-3-pyridinyl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-[(1R)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

3-[4-(5-chloro-3-pyridinyl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-[(1R)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 156905840) has the molecular formula C28H33ClN6O3 and a molecular weight of 537.06 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-[(1R)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[4-(5-chloro-3-pyridinyl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-[(1R)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
PubChem CID156905840
Molecular FormulaC28H33ClN6O3
Molecular Weight537.06 g/mol
Exact Mass536.23
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-[(1R)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILESCCO[C@@H](c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@H](C)C1CCC(C)CC1)C1CC1
InChIInChI=1S/C28H33ClN6O3/c1-4-37-25(18-9-10-18)27-32-21-12-22(26-33-28(36)38-34-26)31-23(19-11-20(29)14-30-13-19)24(21)35(27)16(3)17-7-5-15(2)6-8-17/h11-18,25H,4-10H2,1-3H3,(H,33,34,36)/t15?,16-,17?,25-/m1/s1
InChIKeyPJGMHURMTNPVFZ-NYWAFEGCSA-N
XLogP6.36
TPSA111.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.06
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-[(1R)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-[(1R)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-[(1R)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 156905840) is 3-[4-(5-chloro-3-pyridinyl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-[(1R)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[4-(5-chloro-3-pyridinyl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-[(1R)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[4-(5-chloro-3-pyridinyl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-[(1R)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is CCO[C@@H](c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@H](C)C1CCC(C)CC1)C1CC1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-[(1R)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is PJGMHURMTNPVFZ-NYWAFEGCSA-N. The full InChI is InChI=1S/C28H33ClN6O3/c1-4-37-25(18-9-10-18)27-32-21-12-22(26-33-28(36)38-34-26)31-23(19-11-20(29)14-30-13-19)24(21)35(27)16(3)17-7-5-15(2)6-8-17/h11-18,25H,4-10H2,1-3H3,(H,33,34,36)/t15?,16-,17?,25-/m1/s1.
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-[(1R)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
3-[4-(5-chloro-3-pyridinyl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-[(1R)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 537.06 g/mol, XLogP of 6.36, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-[(1R)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 156905840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).