(2S)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine

C27H28FN3O2 — CID 159638766

IUPAC(2S)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine
SMILESC=C(c1cn2ccccc2n1)N(Cc1ccc(OCc2ccccc2F)cc1)[C@@H](C)COC
InChIInChI=1S/C27H28FN3O2/c1-20(18-32-3)31(21(2)26-17-30-15-7-6-10-27(30)29-26)16-22-11-13-24(14-12-22)33-19-23-8-4-5-9-25(23)28/h4-15,17,20H,2,16,18-19H2,1,3H3/t20-/m0/s1
InChIKeyRJDFAKNCDKMERG-FQEVSTJZSA-N
MW445.54 g/mol
LogP5.56
Rot. Bonds10

About (2S)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine

(2S)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine (PubChem CID 159638766) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is (2S)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine
PubChem CID159638766
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC Name(2S)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine
SMILESC=C(c1cn2ccccc2n1)N(Cc1ccc(OCc2ccccc2F)cc1)[C@@H](C)COC
InChIInChI=1S/C27H28FN3O2/c1-20(18-32-3)31(21(2)26-17-30-15-7-6-10-27(30)29-26)16-22-11-13-24(14-12-22)33-19-23-8-4-5-9-25(23)28/h4-15,17,20H,2,16,18-19H2,1,3H3/t20-/m0/s1
InChIKeyRJDFAKNCDKMERG-FQEVSTJZSA-N
XLogP5.56
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine 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

N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-[(2R)-1-methoxypropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 146264140
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 146264047
1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propan-2-ol
CID 115495863
N-(2-methoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51253266
6-chloro-N-[(3-fluorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 92627163
1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60627565
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
ethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate
CID 140519890
1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 43279242
butyl imidazo[1,2-a]pyridine-2-carboxylate
CID 112724658
N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 74239636
[4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium
CID 123448679

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine?
The IUPAC name of (2S)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine (CID 159638766) is (2S)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine.
What is the SMILES notation for (2S)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine?
The canonical SMILES for (2S)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine is C=C(c1cn2ccccc2n1)N(Cc1ccc(OCc2ccccc2F)cc1)[C@@H](C)COC.
What is the InChIKey of (2S)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine?
The InChIKey is RJDFAKNCDKMERG-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H28FN3O2/c1-20(18-32-3)31(21(2)26-17-30-15-7-6-10-27(30)29-26)16-22-11-13-24(14-12-22)33-19-23-8-4-5-9-25(23)28/h4-15,17,20H,2,16,18-19H2,1,3H3/t20-/m0/s1.
What are the key properties of (2S)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine?
(2S)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine has a molecular weight of 445.54 g/mol, XLogP of 5.56, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine is sourced from PubChem (CID 159638766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).