N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-fluoro-4-hydroxybenzamide

C26H24FN5O3 — CID 71130309

IUPACN-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-fluoro-4-hydroxybenzamide
SMILESO=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCCCC4)ncc3[nH]2)cc1)c1ccc(O)cc1F
InChIInChI=1S/C26H24FN5O3/c27-20-12-18(33)10-11-19(20)26(35)29-17-8-6-15(7-9-17)24-30-21-13-23(28-14-22(21)31-24)32-25(34)16-4-2-1-3-5-16/h6-14,16,33H,1-5H2,(H,29,35)(H,30,31)(H,28,32,34)
InChIKeyXTJQZKMPQZPJRD-UHFFFAOYSA-N
MW473.51 g/mol
LogP5.24
Rot. Bonds5

About N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-fluoro-4-hydroxybenzamide

N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-fluoro-4-hydroxybenzamide (PubChem CID 71130309) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-fluoro-4-hydroxybenzamide
PubChem CID71130309
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC NameN-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-fluoro-4-hydroxybenzamide
SMILESO=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCCCC4)ncc3[nH]2)cc1)c1ccc(O)cc1F
InChIInChI=1S/C26H24FN5O3/c27-20-12-18(33)10-11-19(20)26(35)29-17-8-6-15(7-9-17)24-30-21-13-23(28-14-22(21)31-24)32-25(34)16-4-2-1-3-5-16/h6-14,16,33H,1-5H2,(H,29,35)(H,30,31)(H,28,32,34)
InChIKeyXTJQZKMPQZPJRD-UHFFFAOYSA-N
XLogP5.24
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.51
LogP ≤ 55.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-fluoro-4-hydroxybenzamide (CID 71130309) is N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-fluoro-4-hydroxybenzamide is O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCCCC4)ncc3[nH]2)cc1)c1ccc(O)cc1F.
What is the InChIKey of N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is XTJQZKMPQZPJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3/c27-20-12-18(33)10-11-19(20)26(35)29-17-8-6-15(7-9-17)24-30-21-13-23(28-14-22(21)31-24)32-25(34)16-4-2-1-3-5-16/h6-14,16,33H,1-5H2,(H,29,35)(H,30,31)(H,28,32,34).
What are the key properties of N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-fluoro-4-hydroxybenzamide?
N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 473.51 g/mol, XLogP of 5.24, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 71130309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).