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

C30H36F2N4O7 — CID 146273234

IUPACethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-hydroxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(O)CCN(CCCOc2ccn3c(-c4cc(OC)c(C(=O)NC5CC5)c(OC(F)F)c4)cnc3c2)CC1
InChIInChI=1S/C30H36F2N4O7/c1-3-41-28(38)30(39)8-12-35(13-9-30)10-4-14-42-21-7-11-36-22(18-33-25(36)17-21)19-15-23(40-2)26(24(16-19)43-29(31)32)27(37)34-20-5-6-20/h7,11,15-18,20,29,39H,3-6,8-10,12-14H2,1-2H3,(H,34,37)
InChIKeyBWDBOSSQBNNYNE-UHFFFAOYSA-N
MW602.64 g/mol
LogP3.66
Rot. Bonds13

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

ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-hydroxypiperidine-4-carboxylate (PubChem CID 146273234) has the molecular formula C30H36F2N4O7 and a molecular weight of 602.64 g/mol. Its IUPAC name is ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-hydroxypiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-hydroxypiperidine-4-carboxylate
PubChem CID146273234
Molecular FormulaC30H36F2N4O7
Molecular Weight602.64 g/mol
Exact Mass602.26
IUPAC Nameethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-hydroxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(O)CCN(CCCOc2ccn3c(-c4cc(OC)c(C(=O)NC5CC5)c(OC(F)F)c4)cnc3c2)CC1
InChIInChI=1S/C30H36F2N4O7/c1-3-41-28(38)30(39)8-12-35(13-9-30)10-4-14-42-21-7-11-36-22(18-33-25(36)17-21)19-15-23(40-2)26(24(16-19)43-29(31)32)27(37)34-20-5-6-20/h7,11,15-18,20,29,39H,3-6,8-10,12-14H2,1-2H3,(H,34,37)
InChIKeyBWDBOSSQBNNYNE-UHFFFAOYSA-N
XLogP3.66
TPSA123.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.64
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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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]oxypropyl]-4-hydroxypiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-hydroxypiperidine-4-carboxylate (CID 146273234) is ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-hydroxypiperidine-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]oxypropyl]-4-hydroxypiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-hydroxypiperidine-4-carboxylate is CCOC(=O)C1(O)CCN(CCCOc2ccn3c(-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]oxypropyl]-4-hydroxypiperidine-4-carboxylate?
The InChIKey is BWDBOSSQBNNYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F2N4O7/c1-3-41-28(38)30(39)8-12-35(13-9-30)10-4-14-42-21-7-11-36-22(18-33-25(36)17-21)19-15-23(40-2)26(24(16-19)43-29(31)32)27(37)34-20-5-6-20/h7,11,15-18,20,29,39H,3-6,8-10,12-14H2,1-2H3,(H,34,37).
What are the key properties of ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-hydroxypiperidine-4-carboxylate?
ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-hydroxypiperidine-4-carboxylate has a molecular weight of 602.64 g/mol, XLogP of 3.66, 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]oxypropyl]-4-hydroxypiperidine-4-carboxylate is sourced from PubChem (CID 146273234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).