[ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate

C28H29N5O4 — CID 87510232

IUPAC[ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate
SMILESCCN(OC=O)C(=O)Nc1cccc(-c2cnc3cc(-c4cccc(CN5CCOCC5)c4)ccn23)c1
InChIInChI=1S/C28H29N5O4/c1-2-33(37-20-34)28(35)30-25-8-4-7-24(16-25)26-18-29-27-17-23(9-10-32(26)27)22-6-3-5-21(15-22)19-31-11-13-36-14-12-31/h3-10,15-18,20H,2,11-14,19H2,1H3,(H,30,35)
InChIKeyIMBZAHJBIZHFET-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.44
Rot. Bonds8

About [ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate

[ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate (PubChem CID 87510232) has the molecular formula C28H29N5O4 and a molecular weight of 499.57 g/mol. Its IUPAC name is [ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate.

Molecular Properties

Compound Name[ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate
PubChem CID87510232
Molecular FormulaC28H29N5O4
Molecular Weight499.57 g/mol
Exact Mass499.22
IUPAC Name[ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate
SMILESCCN(OC=O)C(=O)Nc1cccc(-c2cnc3cc(-c4cccc(CN5CCOCC5)c4)ccn23)c1
InChIInChI=1S/C28H29N5O4/c1-2-33(37-20-34)28(35)30-25-8-4-7-24(16-25)26-18-29-27-17-23(9-10-32(26)27)22-6-3-5-21(15-22)19-31-11-13-36-14-12-31/h3-10,15-18,20H,2,11-14,19H2,1H3,(H,30,35)
InChIKeyIMBZAHJBIZHFET-UHFFFAOYSA-N
XLogP4.44
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[ethyl-[[3-[7-[3-(3-morpholin-4-ylpropyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate
CID 87510153
1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 59321072
3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide
CID 89070585
3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrobenzamide
CID 59321053
N-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
CID 59321077
formyl 1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylate
CID 87510449
1-[3-[7-[3-(oxan-4-ylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320974
N-ethyl-3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide;formic acid
CID 68595103
2-(3-methylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
CID 19516890
2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]acetamide
CID 68621684
[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
CID 91112338
1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
CID 59320921

Frequently Asked Questions

What is the IUPAC name of [ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate?
The IUPAC name of [ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate (CID 87510232) is [ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate.
What is the SMILES notation for [ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate?
The canonical SMILES for [ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate is CCN(OC=O)C(=O)Nc1cccc(-c2cnc3cc(-c4cccc(CN5CCOCC5)c4)ccn23)c1.
What is the InChIKey of [ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate?
The InChIKey is IMBZAHJBIZHFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4/c1-2-33(37-20-34)28(35)30-25-8-4-7-24(16-25)26-18-29-27-17-23(9-10-32(26)27)22-6-3-5-21(15-22)19-31-11-13-36-14-12-31/h3-10,15-18,20H,2,11-14,19H2,1H3,(H,30,35).
What are the key properties of [ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate?
[ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate has a molecular weight of 499.57 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate is sourced from PubChem (CID 87510232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).