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

C27H33ClFN7O3 — CID 90684085

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCO[C@@H]1C[C@H](CF)N(c2nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)C1
InChIInChI=1S/C27H33ClFN7O3/c1-15-3-5-16(6-4-15)13-36-24-21(32-26(36)35-14-20(38-2)8-19(35)10-29)9-22(25-33-27(37)39-34-25)31-23(24)17-7-18(28)12-30-11-17/h7,9,11-12,15-16,19-20,25,34H,3-6,8,10,13-14H2,1-2H3,(H,33,37)/t15?,16?,19-,20-,25?/m1/s1
InChIKeyZCEOUINAHRSGQJ-HPDDNTFYSA-N
MW558.06 g/mol
LogP4.78
Rot. Bonds7

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

3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684085) has the molecular formula C27H33ClFN7O3 and a molecular weight of 558.06 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID90684085
Molecular FormulaC27H33ClFN7O3
Molecular Weight558.06 g/mol
Exact Mass557.23
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCO[C@@H]1C[C@H](CF)N(c2nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)C1
InChIInChI=1S/C27H33ClFN7O3/c1-15-3-5-16(6-4-15)13-36-24-21(32-26(36)35-14-20(38-2)8-19(35)10-29)9-22(25-33-27(37)39-34-25)31-23(24)17-7-18(28)12-30-11-17/h7,9,11-12,15-16,19-20,25,34H,3-6,8,10,13-14H2,1-2H3,(H,33,37)/t15?,16?,19-,20-,25?/m1/s1
InChIKeyZCEOUINAHRSGQJ-HPDDNTFYSA-N
XLogP4.78
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.06
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one with MolForge

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Related Compounds

3-[4-(5-chloropyridin-3-yl)-2-[(4aR,7aR)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-{[(1r,4R)-4-methylcyclohexyl]methyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one
CID 136216281
3-[4-(5-chloropyridin-3-yl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one
CID 156905840
3-{4-(5-chloropyridin-3-yl)-3-[(trans-4-methylcyclohexyl)methyl]-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-3H-imidazo[4,5-c]pyridin-6-yl}-1,2,4-oxadiazol-5(4H)-one
CID 136216282
3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136228368
3-[4-(5-chloro-3-pyridinyl)-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136216115
3-{4-(5-chloropyridin-3-yl)-2-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-3-[(trans-4-methylcyclohexyl)methyl]-3H-imidazo[4,5-c]pyridin-6-yl}-1,2,4-oxadiazol-5(4H)-one
CID 136216331
3-{4-(5-chloropyridin-3-yl)-2-(2-methoxy-1-phenylethyl)-3-[(trans-4-methylcyclohexyl)methyl]-3H-imidazo[4,5-c]pyridin-6-yl}-1,2,4-oxadiazol-5(4H)-one
CID 136348474
3-[4-(5-chloro-3-pyridinyl)-2-(1-methoxypropan-2-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136640280
3-[4-(5-chloro-3-pyridinyl)-2-[cyclopropyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136640289
(4R)-3-[2-[[(1S)-1-(7-chloro-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 151050871
(4R)-3-[2-[[(1S)-1-(6-chloro-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 151060963
3-[4-(5-chloro-3-pyridinyl)-2-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
CID 90684027

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684085) is 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]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)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CO[C@@H]1C[C@H](CF)N(c2nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)C1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is ZCEOUINAHRSGQJ-HPDDNTFYSA-N. The full InChI is InChI=1S/C27H33ClFN7O3/c1-15-3-5-16(6-4-15)13-36-24-21(32-26(36)35-14-20(38-2)8-19(35)10-29)9-22(25-33-27(37)39-34-25)31-23(24)17-7-18(28)12-30-11-17/h7,9,11-12,15-16,19-20,25,34H,3-6,8,10,13-14H2,1-2H3,(H,33,37)/t15?,16?,19-,20-,25?/m1/s1.
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 558.06 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).