methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate

C26H28F2N4O6 — CID 146273414

IUPACmethyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate
SMILESCOC(=O)C1CN(CCOc2ccn3c(-c4cc(OC)c(C(=O)NC5CC5)c(OC(F)F)c4)cnc3c2)C1
InChIInChI=1S/C26H28F2N4O6/c1-35-20-9-15(10-21(38-26(27)28)23(20)24(33)30-17-3-4-17)19-12-29-22-11-18(5-6-32(19)22)37-8-7-31-13-16(14-31)25(34)36-2/h5-6,9-12,16-17,26H,3-4,7-8,13-14H2,1-2H3,(H,30,33)
InChIKeyLKLOOZWYMKKAMU-UHFFFAOYSA-N
MW530.53 g/mol
LogP2.99
Rot. Bonds11

About methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate

methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate (PubChem CID 146273414) has the molecular formula C26H28F2N4O6 and a molecular weight of 530.53 g/mol. Its IUPAC name is methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate
PubChem CID146273414
Molecular FormulaC26H28F2N4O6
Molecular Weight530.53 g/mol
Exact Mass530.20
IUPAC Namemethyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate
SMILESCOC(=O)C1CN(CCOc2ccn3c(-c4cc(OC)c(C(=O)NC5CC5)c(OC(F)F)c4)cnc3c2)C1
InChIInChI=1S/C26H28F2N4O6/c1-35-20-9-15(10-21(38-26(27)28)23(20)24(33)30-17-3-4-17)19-12-29-22-11-18(5-6-32(19)22)37-8-7-31-13-16(14-31)25(34)36-2/h5-6,9-12,16-17,26H,3-4,7-8,13-14H2,1-2H3,(H,30,33)
InChIKeyLKLOOZWYMKKAMU-UHFFFAOYSA-N
XLogP2.99
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate?
The IUPAC name of methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate (CID 146273414) is methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate is COC(=O)C1CN(CCOc2ccn3c(-c4cc(OC)c(C(=O)NC5CC5)c(OC(F)F)c4)cnc3c2)C1.
What is the InChIKey of methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate?
The InChIKey is LKLOOZWYMKKAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O6/c1-35-20-9-15(10-21(38-26(27)28)23(20)24(33)30-17-3-4-17)19-12-29-22-11-18(5-6-32(19)22)37-8-7-31-13-16(14-31)25(34)36-2/h5-6,9-12,16-17,26H,3-4,7-8,13-14H2,1-2H3,(H,30,33).
What are the key properties of methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate?
methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate has a molecular weight of 530.53 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate is sourced from PubChem (CID 146273414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).