ethyl 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylate

C24H27FN4O5 — CID 56650350

IUPACethyl 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(n2c(NC(=O)c3cccc(F)c3)nc3cnc(OCCO)cc32)CC1
InChIInChI=1S/C24H27FN4O5/c1-2-33-23(32)15-6-8-18(9-7-15)29-20-13-21(34-11-10-30)26-14-19(20)27-24(29)28-22(31)16-4-3-5-17(25)12-16/h3-5,12-15,18,30H,2,6-11H2,1H3,(H,27,28,31)
InChIKeyMROXWTGOSIAEAI-UHFFFAOYSA-N
MW470.50 g/mol
LogP3.49
Rot. Bonds8

About ethyl 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylate

ethyl 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylate (PubChem CID 56650350) has the molecular formula C24H27FN4O5 and a molecular weight of 470.50 g/mol. Its IUPAC name is ethyl 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylate
PubChem CID56650350
Molecular FormulaC24H27FN4O5
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC Nameethyl 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(n2c(NC(=O)c3cccc(F)c3)nc3cnc(OCCO)cc32)CC1
InChIInChI=1S/C24H27FN4O5/c1-2-33-23(32)15-6-8-18(9-7-15)29-20-13-21(34-11-10-30)26-14-19(20)27-24(29)28-22(31)16-4-3-5-17(25)12-16/h3-5,12-15,18,30H,2,6-11H2,1H3,(H,27,28,31)
InChIKeyMROXWTGOSIAEAI-UHFFFAOYSA-N
XLogP3.49
TPSA115.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

8-Oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one
CID 139593670
(S)-N-(2,6-difluorophenyl)-3-(3-(2-(3-(3-(dimethylamino)-2-hydroxypropoxy)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571812
N-(3-((5-Methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)benzamide
CID 52947137
(E)-4-Fluoro-N-(1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-6-(pyridin-2-yloxy)-1H-benzo[d]imidazol-2(3H)-ylidene)benzamide
CID 56650693
3-fluoro-N-[6-(1-hydroxybutan-2-yloxy)-1-propan-2-ylbenzimidazol-4-yl]benzamide
CID 44143061
N-{4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}benzamide
CID 52949618
Methyl 3-[[4-[6-(aminomethyl)pyrimidin-4-yl]oxyindol-1-yl]methyl]benzoate
CID 124174877
3-[[4-[6-(Aminomethyl)pyrimidin-4-yl]oxyindol-1-yl]methyl]benzoic acid;2,2,2-trifluoroacetic acid
CID 135185975
US11306081, Example 178
CID 137408515
US11306081, Example 153
CID 137408529
US10208019, Example 1A-17
CID 139208503
US11306081, Example 170
CID 142516338

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylate (CID 56650350) is ethyl 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(n2c(NC(=O)c3cccc(F)c3)nc3cnc(OCCO)cc32)CC1.
What is the InChIKey of ethyl 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylate?
The InChIKey is MROXWTGOSIAEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O5/c1-2-33-23(32)15-6-8-18(9-7-15)29-20-13-21(34-11-10-30)26-14-19(20)27-24(29)28-22(31)16-4-3-5-17(25)12-16/h3-5,12-15,18,30H,2,6-11H2,1H3,(H,27,28,31).
What are the key properties of ethyl 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylate?
ethyl 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylate has a molecular weight of 470.50 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 56650350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).