methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate

C25H24FN5O3 — CID 23796751

IUPACmethyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCOC(=O)CNc1c(-c2ccc(F)cc2)nc2c(C(=O)NCc3cccc(CN)c3)cccn12
InChIInChI=1S/C25H24FN5O3/c1-34-21(32)15-28-24-22(18-7-9-19(26)10-8-18)30-23-20(6-3-11-31(23)24)25(33)29-14-17-5-2-4-16(12-17)13-27/h2-12,28H,13-15,27H2,1H3,(H,29,33)
InChIKeyAEFNFEGTPONAEO-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.11
Rot. Bonds8

About methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate

methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate (PubChem CID 23796751) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
PubChem CID23796751
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Namemethyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCOC(=O)CNc1c(-c2ccc(F)cc2)nc2c(C(=O)NCc3cccc(CN)c3)cccn12
InChIInChI=1S/C25H24FN5O3/c1-34-21(32)15-28-24-22(18-7-9-19(26)10-8-18)30-23-20(6-3-11-31(23)24)25(33)29-14-17-5-2-4-16(12-17)13-27/h2-12,28H,13-15,27H2,1H3,(H,29,33)
InChIKeyAEFNFEGTPONAEO-UHFFFAOYSA-N
XLogP3.11
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 23996618
N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 23741416
N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 23878608
N-[[3-(aminomethyl)phenyl]methyl]-2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carboxamide
CID 23963571
methyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 23768915
3-[[3-[(2-methoxy-2-oxoethyl)amino]-2-naphthalen-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]-3-(3-methylphenyl)propanoic acid
CID 23906339
ethyl 2-[(2-phenyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 42738205
(3-fluorophenyl)methanamine;N-[(3-fluorophenyl)methyl]-2-methoxybenzamide;2-methoxybenzoyl chloride
CID 167669044
methyl 4-[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzoate
CID 23738412
(2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 161371376
2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid
CID 44783182
N-[(3-bromophenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 46857821

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The IUPAC name of methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate (CID 23796751) is methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The canonical SMILES for methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate is COC(=O)CNc1c(-c2ccc(F)cc2)nc2c(C(=O)NCc3cccc(CN)c3)cccn12.
What is the InChIKey of methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The InChIKey is AEFNFEGTPONAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-34-21(32)15-28-24-22(18-7-9-19(26)10-8-18)30-23-20(6-3-11-31(23)24)25(33)29-14-17-5-2-4-16(12-17)13-27/h2-12,28H,13-15,27H2,1H3,(H,29,33).
What are the key properties of methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate has a molecular weight of 461.50 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate is sourced from PubChem (CID 23796751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).