3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

C28H34ClN7O3 — CID 136640264

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILESCO[C@H]1CCN(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)[C@@H](C)C1
InChIInChI=1S/C28H34ClN7O3/c1-16-4-6-18(7-5-16)15-36-25-22(32-27(36)35-9-8-21(38-3)10-17(35)2)12-23(26-33-28(37)39-34-26)31-24(25)19-11-20(29)14-30-13-19/h11-14,16-18,21H,4-10,15H2,1-3H3,(H,33,34,37)/t16?,17-,18?,21-/m0/s1
InChIKeyRTDGVDRCLKUZIR-WYESBNJKSA-N
MW552.08 g/mol
LogP5.32
Rot. Bonds6

About 3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 136640264) has the molecular formula C28H34ClN7O3 and a molecular weight of 552.08 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
PubChem CID136640264
Molecular FormulaC28H34ClN7O3
Molecular Weight552.08 g/mol
Exact Mass551.24
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILESCO[C@H]1CCN(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)[C@@H](C)C1
InChIInChI=1S/C28H34ClN7O3/c1-16-4-6-18(7-5-16)15-36-25-22(32-27(36)35-9-8-21(38-3)10-17(35)2)12-23(26-33-28(37)39-34-26)31-24(25)19-11-20(29)14-30-13-19/h11-14,16-18,21H,4-10,15H2,1-3H3,(H,33,34,37)/t16?,17-,18?,21-/m0/s1
InChIKeyRTDGVDRCLKUZIR-WYESBNJKSA-N
XLogP5.32
TPSA114.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.08
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]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-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]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-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 136640264) is 3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]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-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]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-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is CO[C@H]1CCN(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)[C@@H](C)C1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is RTDGVDRCLKUZIR-WYESBNJKSA-N. The full InChI is InChI=1S/C28H34ClN7O3/c1-16-4-6-18(7-5-16)15-36-25-22(32-27(36)35-9-8-21(38-3)10-17(35)2)12-23(26-33-28(37)39-34-26)31-24(25)19-11-20(29)14-30-13-19/h11-14,16-18,21H,4-10,15H2,1-3H3,(H,33,34,37)/t16?,17-,18?,21-/m0/s1.
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 552.08 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 136640264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).