ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate

C25H28ClN3O4 — CID 140914876

IUPACethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate
SMILESCCOC(=O)CCN1CC=C(c2ccn3cc(-c4cc(Cl)c(OC)cc4CO)nc3c2)CC1
InChIInChI=1S/C25H28ClN3O4/c1-3-33-25(31)7-10-28-8-4-17(5-9-28)18-6-11-29-15-22(27-24(29)13-18)20-14-21(26)23(32-2)12-19(20)16-30/h4,6,11-15,30H,3,5,7-10,16H2,1-2H3
InChIKeyDXOHJRLRTHBDNS-UHFFFAOYSA-N
MW469.97 g/mol
LogP4.20
Rot. Bonds8

About ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate

ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate (PubChem CID 140914876) has the molecular formula C25H28ClN3O4 and a molecular weight of 469.97 g/mol. Its IUPAC name is ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate
PubChem CID140914876
Molecular FormulaC25H28ClN3O4
Molecular Weight469.97 g/mol
Exact Mass469.18
IUPAC Nameethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate
SMILESCCOC(=O)CCN1CC=C(c2ccn3cc(-c4cc(Cl)c(OC)cc4CO)nc3c2)CC1
InChIInChI=1S/C25H28ClN3O4/c1-3-33-25(31)7-10-28-8-4-17(5-9-28)18-6-11-29-15-22(27-24(29)13-18)20-14-21(26)23(32-2)12-19(20)16-30/h4,6,11-15,30H,3,5,7-10,16H2,1-2H3
InChIKeyDXOHJRLRTHBDNS-UHFFFAOYSA-N
XLogP4.20
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate?
The IUPAC name of ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate (CID 140914876) is ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate is CCOC(=O)CCN1CC=C(c2ccn3cc(-c4cc(Cl)c(OC)cc4CO)nc3c2)CC1.
What is the InChIKey of ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate?
The InChIKey is DXOHJRLRTHBDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O4/c1-3-33-25(31)7-10-28-8-4-17(5-9-28)18-6-11-29-15-22(27-24(29)13-18)20-14-21(26)23(32-2)12-19(20)16-30/h4,6,11-15,30H,3,5,7-10,16H2,1-2H3.
What are the key properties of ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate?
ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate has a molecular weight of 469.97 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate is sourced from PubChem (CID 140914876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).