N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine

C21H27N5 — CID 86886111

IUPACN-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
SMILESCN1CCN(CC(NCc2cnc3ccccn23)c2ccccc2)CC1
InChIInChI=1S/C21H27N5/c1-24-11-13-25(14-12-24)17-20(18-7-3-2-4-8-18)22-15-19-16-23-21-9-5-6-10-26(19)21/h2-10,16,20,22H,11-15,17H2,1H3
InChIKeyNNRWTIOFYRWOKF-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.41
Rot. Bonds6

About N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine

N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine (PubChem CID 86886111) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
PubChem CID86886111
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
SMILESCN1CCN(CC(NCc2cnc3ccccn23)c2ccccc2)CC1
InChIInChI=1S/C21H27N5/c1-24-11-13-25(14-12-24)17-20(18-7-3-2-4-8-18)22-15-19-16-23-21-9-5-6-10-26(19)21/h2-10,16,20,22H,11-15,17H2,1H3
InChIKeyNNRWTIOFYRWOKF-UHFFFAOYSA-N
XLogP2.41
TPSA35.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(imidazo[1,2-a]pyridin-3-ylmethyl)butan-2-amine
CID 115587073
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylbutan-2-amine
CID 115591964
N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
CID 115587049
(1S)-N-[(3,4-difluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 95265451
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine
CID 115639682
1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride
CID 73012288
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 86886112
(1S)-N-[(2,5-difluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 95265427
methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate
CID 99837979
(1S)-2-(4-methylpiperazin-1-yl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylethanamine
CID 97258453
2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine
CID 86941178
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 95267786

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine?
The IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine (CID 86886111) is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine is CN1CCN(CC(NCc2cnc3ccccn23)c2ccccc2)CC1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine?
The InChIKey is NNRWTIOFYRWOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-24-11-13-25(14-12-24)17-20(18-7-3-2-4-8-18)22-15-19-16-23-21-9-5-6-10-26(19)21/h2-10,16,20,22H,11-15,17H2,1H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine?
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine has a molecular weight of 349.48 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine is sourced from PubChem (CID 86886111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).