4-[7-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide

C27H29F2N3O4 — CID 167240297

IUPAC4-[7-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
SMILESCOc1cc(-c2cnc3cc(OC4C[C@H]5CC[C@@H](C4)C5)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C27H29F2N3O4/c1-34-22-11-17(12-23(36-27(28)29)25(22)26(33)31-18-4-5-18)21-14-30-24-13-19(6-7-32(21)24)35-20-9-15-2-3-16(8-15)10-20/h6-7,11-16,18,20,27H,2-5,8-10H2,1H3,(H,31,33)/t15-,16+,20?
InChIKeyZEBFVSSRSXWOPD-NYTJIUQPSA-N
MW497.54 g/mol
LogP5.46
Rot. Bonds8

About 4-[7-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide

4-[7-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide (PubChem CID 167240297) has the molecular formula C27H29F2N3O4 and a molecular weight of 497.54 g/mol. Its IUPAC name is 4-[7-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide.

Molecular Properties

Compound Name4-[7-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
PubChem CID167240297
Molecular FormulaC27H29F2N3O4
Molecular Weight497.54 g/mol
Exact Mass497.21
IUPAC Name4-[7-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
SMILESCOc1cc(-c2cnc3cc(OC4C[C@H]5CC[C@@H](C4)C5)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C27H29F2N3O4/c1-34-22-11-17(12-23(36-27(28)29)25(22)26(33)31-18-4-5-18)21-14-30-24-13-19(6-7-32(21)24)35-20-9-15-2-3-16(8-15)10-20/h6-7,11-16,18,20,27H,2-5,8-10H2,1H3,(H,31,33)/t15-,16+,20?
InChIKeyZEBFVSSRSXWOPD-NYTJIUQPSA-N
XLogP5.46
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.54
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[7-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide with MolForge

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Related Compounds

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)benzamide
CID 146275227
N-cyclopropyl-2-(difluoromethoxy)-4-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146273347
4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 146273253
N-cyclopropyl-2-(difluoromethoxy)-4-[7-(2,2-dimethylpropoxy)imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146275278
N-cyclopropyl-4-[7-[2-[(2,2-difluoroacetyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide;molecular hydrogen
CID 167590110
N-cyclopropyl-2-(difluoromethoxy)-4-[7-(1-hydroxycyclobutyl)imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 155727602
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146273484
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[(1-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146275382
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 166009657
4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 155349441
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-morpholin-4-ylpropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146273385
N-cyclopropyl-2-(difluoromethoxy)-4-[7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146273517

Frequently Asked Questions

What is the IUPAC name of 4-[7-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
The IUPAC name of 4-[7-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide (CID 167240297) is 4-[7-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide.
What is the SMILES notation for 4-[7-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
The canonical SMILES for 4-[7-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide is COc1cc(-c2cnc3cc(OC4C[C@H]5CC[C@@H](C4)C5)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of 4-[7-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
The InChIKey is ZEBFVSSRSXWOPD-NYTJIUQPSA-N. The full InChI is InChI=1S/C27H29F2N3O4/c1-34-22-11-17(12-23(36-27(28)29)25(22)26(33)31-18-4-5-18)21-14-30-24-13-19(6-7-32(21)24)35-20-9-15-2-3-16(8-15)10-20/h6-7,11-16,18,20,27H,2-5,8-10H2,1H3,(H,31,33)/t15-,16+,20?.
What are the key properties of 4-[7-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
4-[7-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide has a molecular weight of 497.54 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide is sourced from PubChem (CID 167240297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).