2-(4-methoxy-3-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine

C24H27N7O — CID 110311561

IUPAC2-(4-methoxy-3-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine
SMILESCOc1ccc(-c2nc3ccc(N)cn3c2CN2CCN(c3ncccn3)CC2)cc1C
InChIInChI=1S/C24H27N7O/c1-17-14-18(4-6-21(17)32-2)23-20(31-15-19(25)5-7-22(31)28-23)16-29-10-12-30(13-11-29)24-26-8-3-9-27-24/h3-9,14-15H,10-13,16,25H2,1-2H3
InChIKeyDPBUWWZFHOLYGX-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.01
Rot. Bonds5

About 2-(4-methoxy-3-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine

2-(4-methoxy-3-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine (PubChem CID 110311561) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine
PubChem CID110311561
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name2-(4-methoxy-3-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine
SMILESCOc1ccc(-c2nc3ccc(N)cn3c2CN2CCN(c3ncccn3)CC2)cc1C
InChIInChI=1S/C24H27N7O/c1-17-14-18(4-6-21(17)32-2)23-20(31-15-19(25)5-7-22(31)28-23)16-29-10-12-30(13-11-29)24-26-8-3-9-27-24/h3-9,14-15H,10-13,16,25H2,1-2H3
InChIKeyDPBUWWZFHOLYGX-UHFFFAOYSA-N
XLogP3.01
TPSA84.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-methoxyphenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 110311537
2-(3,4-dichlorophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 110311535
2-(4-methoxy-3-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 110311784
2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-amine
CID 165344231
2-(4-tert-butylphenyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-amine
CID 110311811
3-(1,4-diazepan-1-ylmethyl)-6-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 66556606
2-[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 3756796
2-methyl-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-amine
CID 82058473
2-(3-methoxyphenyl)-6-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2759685
[6-chloro-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199396
bis(2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol);hydrate;tetrahydrochloride
CID 23618065
2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127534

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine (CID 110311561) is 2-(4-methoxy-3-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine is COc1ccc(-c2nc3ccc(N)cn3c2CN2CCN(c3ncccn3)CC2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine?
The InChIKey is DPBUWWZFHOLYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-17-14-18(4-6-21(17)32-2)23-20(31-15-19(25)5-7-22(31)28-23)16-29-10-12-30(13-11-29)24-26-8-3-9-27-24/h3-9,14-15H,10-13,16,25H2,1-2H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine?
2-(4-methoxy-3-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine has a molecular weight of 429.53 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 110311561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).