N-[1-(4-carbamoylcyclohexyl)-6-(2-methoxyethoxy)imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide

C23H26FN5O4 — CID 123173319

IUPACN-[1-(4-carbamoylcyclohexyl)-6-(2-methoxyethoxy)imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide
SMILESCOCCOc1cc2c(cn1)nc(NC(=O)c1ccc(F)cc1)n2C1CCC(C(N)=O)CC1
InChIInChI=1S/C23H26FN5O4/c1-32-10-11-33-20-12-19-18(13-26-20)27-23(28-22(31)15-2-6-16(24)7-3-15)29(19)17-8-4-14(5-9-17)21(25)30/h2-3,6-7,12-14,17H,4-5,8-11H2,1H3,(H2,25,30)(H,27,28,31)
InChIKeyWTJGPDILZQRRSZ-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.06
Rot. Bonds8

About N-[1-(4-carbamoylcyclohexyl)-6-(2-methoxyethoxy)imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide

N-[1-(4-carbamoylcyclohexyl)-6-(2-methoxyethoxy)imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide (PubChem CID 123173319) has the molecular formula C23H26FN5O4 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[1-(4-carbamoylcyclohexyl)-6-(2-methoxyethoxy)imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-carbamoylcyclohexyl)-6-(2-methoxyethoxy)imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide
PubChem CID123173319
Molecular FormulaC23H26FN5O4
Molecular Weight455.49 g/mol
Exact Mass455.20
IUPAC NameN-[1-(4-carbamoylcyclohexyl)-6-(2-methoxyethoxy)imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide
SMILESCOCCOc1cc2c(cn1)nc(NC(=O)c1ccc(F)cc1)n2C1CCC(C(N)=O)CC1
InChIInChI=1S/C23H26FN5O4/c1-32-10-11-33-20-12-19-18(13-26-20)27-23(28-22(31)15-2-6-16(24)7-3-15)29(19)17-8-4-14(5-9-17)21(25)30/h2-3,6-7,12-14,17H,4-5,8-11H2,1H3,(H2,25,30)(H,27,28,31)
InChIKeyWTJGPDILZQRRSZ-UHFFFAOYSA-N
XLogP3.06
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)benzamide
CID 11339681
N-(3-((2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl)oxy)phenyl)-4-(dimethylamino)benzamide
CID 16099859
N-methyl-4-[(2-{methyl[4-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22041171
4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 134214787
N-(2,6-difluorophenyl)-3-(3-(2-(3-(2-(dimethylamino)ethoxy)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571810
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
2-ethoxy-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)benzamide
CID 7080312
1-(Cyclopropylmethyl)-2-[(6-ethoxy-3-pyridinyl)methyl]-N,N-diethyl-1H-benzimidazole-5-carboxamide
CID 10294778
3-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-phenylbenzamide
CID 52942278
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
4-[8-(2-Fluoroanilino)-2-(4-methoxyanilino)purin-9-yl]cyclohexane-1-carboxamide
CID 57395293

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-carbamoylcyclohexyl)-6-(2-methoxyethoxy)imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-(4-carbamoylcyclohexyl)-6-(2-methoxyethoxy)imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide (CID 123173319) is N-[1-(4-carbamoylcyclohexyl)-6-(2-methoxyethoxy)imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(4-carbamoylcyclohexyl)-6-(2-methoxyethoxy)imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(4-carbamoylcyclohexyl)-6-(2-methoxyethoxy)imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide is COCCOc1cc2c(cn1)nc(NC(=O)c1ccc(F)cc1)n2C1CCC(C(N)=O)CC1.
What is the InChIKey of N-[1-(4-carbamoylcyclohexyl)-6-(2-methoxyethoxy)imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide?
The InChIKey is WTJGPDILZQRRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4/c1-32-10-11-33-20-12-19-18(13-26-20)27-23(28-22(31)15-2-6-16(24)7-3-15)29(19)17-8-4-14(5-9-17)21(25)30/h2-3,6-7,12-14,17H,4-5,8-11H2,1H3,(H2,25,30)(H,27,28,31).
What are the key properties of N-[1-(4-carbamoylcyclohexyl)-6-(2-methoxyethoxy)imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide?
N-[1-(4-carbamoylcyclohexyl)-6-(2-methoxyethoxy)imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide has a molecular weight of 455.49 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-carbamoylcyclohexyl)-6-(2-methoxyethoxy)imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 123173319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).