ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2-hydroxypropyl]-4-fluoropiperidine-4-carboxylate

C30H35F3N4O7 — CID 146273236

IUPACethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2-hydroxypropyl]-4-fluoropiperidine-4-carboxylate
SMILESCCOC(=O)C1(F)CCN(CC(O)COc2ccn3c(-c4cc(OC)c(C(=O)NC5CC5)c(OC(F)F)c4)cnc3c2)CC1
InChIInChI=1S/C30H35F3N4O7/c1-3-42-28(40)30(33)7-10-36(11-8-30)16-20(38)17-43-21-6-9-37-22(15-34-25(37)14-21)18-12-23(41-2)26(24(13-18)44-29(31)32)27(39)35-19-4-5-19/h6,9,12-15,19-20,29,38H,3-5,7-8,10-11,16-17H2,1-2H3,(H,35,39)
InChIKeyKVVZSVOPGJQPAI-UHFFFAOYSA-N
MW620.63 g/mol
LogP3.61
Rot. Bonds13

About ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2-hydroxypropyl]-4-fluoropiperidine-4-carboxylate

ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2-hydroxypropyl]-4-fluoropiperidine-4-carboxylate (PubChem CID 146273236) has the molecular formula C30H35F3N4O7 and a molecular weight of 620.63 g/mol. Its IUPAC name is ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2-hydroxypropyl]-4-fluoropiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2-hydroxypropyl]-4-fluoropiperidine-4-carboxylate
PubChem CID146273236
Molecular FormulaC30H35F3N4O7
Molecular Weight620.63 g/mol
Exact Mass620.25
IUPAC Nameethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2-hydroxypropyl]-4-fluoropiperidine-4-carboxylate
SMILESCCOC(=O)C1(F)CCN(CC(O)COc2ccn3c(-c4cc(OC)c(C(=O)NC5CC5)c(OC(F)F)c4)cnc3c2)CC1
InChIInChI=1S/C30H35F3N4O7/c1-3-42-28(40)30(33)7-10-36(11-8-30)16-20(38)17-43-21-6-9-37-22(15-34-25(37)14-21)18-12-23(41-2)26(24(13-18)44-29(31)32)27(39)35-19-4-5-19/h6,9,12-15,19-20,29,38H,3-5,7-8,10-11,16-17H2,1-2H3,(H,35,39)
InChIKeyKVVZSVOPGJQPAI-UHFFFAOYSA-N
XLogP3.61
TPSA123.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.63
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2-hydroxypropyl]-4-fluoropiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[7-(1-Methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridin-3-yl]-2-phenylmethoxybenzamide
CID 137634280
4-[7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridin-3-yl]-2-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]benzamide
CID 137636215
4-[7-(1-Methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridin-3-yl]-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide
CID 137659636
US10087188, Example 116
CID 121455737
US20240025892, Example 68
CID 163793656
tert-butyl 4-[3-[4-carbamoyl-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]oxypiperidine-1-carboxylate
CID 137640438
4-[7-(1-Methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridin-3-yl]-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]benzamide
CID 137647984
Tert-butyl 4-[3-[4-carbamoyl-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]oxypiperidine-1-carboxylate
CID 137651645
4-[7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridin-3-yl]-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethoxy]benzamide
CID 137653063
N-(2-aminoethyl)-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide
CID 137658783
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[2-(oxan-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146273326
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146275389

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2-hydroxypropyl]-4-fluoropiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2-hydroxypropyl]-4-fluoropiperidine-4-carboxylate (CID 146273236) is ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2-hydroxypropyl]-4-fluoropiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2-hydroxypropyl]-4-fluoropiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2-hydroxypropyl]-4-fluoropiperidine-4-carboxylate is CCOC(=O)C1(F)CCN(CC(O)COc2ccn3c(-c4cc(OC)c(C(=O)NC5CC5)c(OC(F)F)c4)cnc3c2)CC1.
What is the InChIKey of ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2-hydroxypropyl]-4-fluoropiperidine-4-carboxylate?
The InChIKey is KVVZSVOPGJQPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F3N4O7/c1-3-42-28(40)30(33)7-10-36(11-8-30)16-20(38)17-43-21-6-9-37-22(15-34-25(37)14-21)18-12-23(41-2)26(24(13-18)44-29(31)32)27(39)35-19-4-5-19/h6,9,12-15,19-20,29,38H,3-5,7-8,10-11,16-17H2,1-2H3,(H,35,39).
What are the key properties of ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2-hydroxypropyl]-4-fluoropiperidine-4-carboxylate?
ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2-hydroxypropyl]-4-fluoropiperidine-4-carboxylate has a molecular weight of 620.63 g/mol, XLogP of 3.61, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2-hydroxypropyl]-4-fluoropiperidine-4-carboxylate is sourced from PubChem (CID 146273236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).