5-fluoro-N-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-iodoanilino)pyridine-3-carboxamide

C27H24F2IN5O2 — CID 159874984

IUPAC5-fluoro-N-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-iodoanilino)pyridine-3-carboxamide
SMILESO=C(CC1CCC(NC(=O)c2cc(F)cnc2Nc2cccc(I)c2)CC1)c1cn2cc(F)ccc2n1
InChIInChI=1S/C27H24F2IN5O2/c28-17-6-9-25-34-23(15-35(25)14-17)24(36)10-16-4-7-20(8-5-16)33-27(37)22-11-18(29)13-31-26(22)32-21-3-1-2-19(30)12-21/h1-3,6,9,11-16,20H,4-5,7-8,10H2,(H,31,32)(H,33,37)
InChIKeyNSUCSFZEPPWGSD-UHFFFAOYSA-N
MW615.42 g/mol
LogP5.92
Rot. Bonds7

About 5-fluoro-N-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-iodoanilino)pyridine-3-carboxamide

5-fluoro-N-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-iodoanilino)pyridine-3-carboxamide (PubChem CID 159874984) has the molecular formula C27H24F2IN5O2 and a molecular weight of 615.42 g/mol. Its IUPAC name is 5-fluoro-N-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-iodoanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-iodoanilino)pyridine-3-carboxamide
PubChem CID159874984
Molecular FormulaC27H24F2IN5O2
Molecular Weight615.42 g/mol
Exact Mass615.09
IUPAC Name5-fluoro-N-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-iodoanilino)pyridine-3-carboxamide
SMILESO=C(CC1CCC(NC(=O)c2cc(F)cnc2Nc2cccc(I)c2)CC1)c1cn2cc(F)ccc2n1
InChIInChI=1S/C27H24F2IN5O2/c28-17-6-9-25-34-23(15-35(25)14-17)24(36)10-16-4-7-20(8-5-16)33-27(37)22-11-18(29)13-31-26(22)32-21-3-1-2-19(30)12-21/h1-3,6,9,11-16,20H,4-5,7-8,10H2,(H,31,32)(H,33,37)
InChIKeyNSUCSFZEPPWGSD-UHFFFAOYSA-N
XLogP5.92
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.42
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminocyclohexyl)-5-fluoro-2-(3-iodoanilino)pyridine-3-carboxamide
CID 70295598
N-[4-[1-[2-[3-[2-(aminomethyl)-4-hydroxyphenyl]anilino]-5-fluoro-3-pyridinyl]ethenylamino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 70296575
N-[4-[[2-[3-[4-[[4-(dipropylamino)piperidin-1-yl]methyl]phenyl]anilino]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 71013572
N-[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 171722185
N-cyclopentyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 42690054
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea
CID 59168731
[4-[[2-(3-bromo-5-methylanilino)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-tert-butylcarbamic acid
CID 66824170
N-[4-[2-[1-[3-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]phenyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-3-yl]ethyl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 143720323
[4-[3-[6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]phenyl]phenyl]methyl N-tert-butylcarbamate
CID 123541773
methyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate
CID 90092866
N-cyclopropyl-5-(3-methylanilino)pyridine-2-carboxamide
CID 109179924
N-[4-[4-[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoro-3-pyridinyl]-4-oxobutyl]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 143900870

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-iodoanilino)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-iodoanilino)pyridine-3-carboxamide (CID 159874984) is 5-fluoro-N-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-iodoanilino)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-iodoanilino)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-iodoanilino)pyridine-3-carboxamide is O=C(CC1CCC(NC(=O)c2cc(F)cnc2Nc2cccc(I)c2)CC1)c1cn2cc(F)ccc2n1.
What is the InChIKey of 5-fluoro-N-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-iodoanilino)pyridine-3-carboxamide?
The InChIKey is NSUCSFZEPPWGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2IN5O2/c28-17-6-9-25-34-23(15-35(25)14-17)24(36)10-16-4-7-20(8-5-16)33-27(37)22-11-18(29)13-31-26(22)32-21-3-1-2-19(30)12-21/h1-3,6,9,11-16,20H,4-5,7-8,10H2,(H,31,32)(H,33,37).
What are the key properties of 5-fluoro-N-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-iodoanilino)pyridine-3-carboxamide?
5-fluoro-N-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-iodoanilino)pyridine-3-carboxamide has a molecular weight of 615.42 g/mol, XLogP of 5.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-iodoanilino)pyridine-3-carboxamide is sourced from PubChem (CID 159874984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).