[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2,2-difluoropropyl]carbamic acid

C23H22F4N4O6 — CID 146273205

IUPAC[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2,2-difluoropropyl]carbamic acid
SMILESCOc1cc(-c2cnc3cc(OCC(F)(F)CNC(=O)O)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C23H22F4N4O6/c1-35-16-6-12(7-17(37-21(24)25)19(16)20(32)30-13-2-3-13)15-9-28-18-8-14(4-5-31(15)18)36-11-23(26,27)10-29-22(33)34/h4-9,13,21,29H,2-3,10-11H2,1H3,(H,30,32)(H,33,34)
InChIKeyDUTMCWRHRTXRIY-UHFFFAOYSA-N
MW526.44 g/mol
LogP3.79
Rot. Bonds11

About [3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2,2-difluoropropyl]carbamic acid

[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2,2-difluoropropyl]carbamic acid (PubChem CID 146273205) has the molecular formula C23H22F4N4O6 and a molecular weight of 526.44 g/mol. Its IUPAC name is [3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2,2-difluoropropyl]carbamic acid.

Molecular Properties

Compound Name[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2,2-difluoropropyl]carbamic acid
PubChem CID146273205
Molecular FormulaC23H22F4N4O6
Molecular Weight526.44 g/mol
Exact Mass526.15
IUPAC Name[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2,2-difluoropropyl]carbamic acid
SMILESCOc1cc(-c2cnc3cc(OCC(F)(F)CNC(=O)O)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C23H22F4N4O6/c1-35-16-6-12(7-17(37-21(24)25)19(16)20(32)30-13-2-3-13)15-9-28-18-8-14(4-5-31(15)18)36-11-23(26,27)10-29-22(33)34/h4-9,13,21,29H,2-3,10-11H2,1H3,(H,30,32)(H,33,34)
InChIKeyDUTMCWRHRTXRIY-UHFFFAOYSA-N
XLogP3.79
TPSA123.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.44
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2,2-difluoropropyl]carbamic acid?
The IUPAC name of [3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2,2-difluoropropyl]carbamic acid (CID 146273205) is [3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2,2-difluoropropyl]carbamic acid.
What is the SMILES notation for [3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2,2-difluoropropyl]carbamic acid?
The canonical SMILES for [3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2,2-difluoropropyl]carbamic acid is COc1cc(-c2cnc3cc(OCC(F)(F)CNC(=O)O)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of [3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2,2-difluoropropyl]carbamic acid?
The InChIKey is DUTMCWRHRTXRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N4O6/c1-35-16-6-12(7-17(37-21(24)25)19(16)20(32)30-13-2-3-13)15-9-28-18-8-14(4-5-31(15)18)36-11-23(26,27)10-29-22(33)34/h4-9,13,21,29H,2-3,10-11H2,1H3,(H,30,32)(H,33,34).
What are the key properties of [3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2,2-difluoropropyl]carbamic acid?
[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2,2-difluoropropyl]carbamic acid has a molecular weight of 526.44 g/mol, XLogP of 3.79, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2,2-difluoropropyl]carbamic acid is sourced from PubChem (CID 146273205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).