4-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline

C21H26N4 — CID 82028975

IUPAC4-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
SMILESCc1ccn2c(CN3CCC(C)CC3)c(-c3ccc(N)cc3)nc2c1
InChIInChI=1S/C21H26N4/c1-15-7-10-24(11-8-15)14-19-21(17-3-5-18(22)6-4-17)23-20-13-16(2)9-12-25(19)20/h3-6,9,12-13,15H,7-8,10-11,14,22H2,1-2H3
InChIKeyGQTYXXRUGBKEJA-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.12
Rot. Bonds3

About 4-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline

4-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline (PubChem CID 82028975) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 4-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline.

Molecular Properties

Compound Name4-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
PubChem CID82028975
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name4-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
SMILESCc1ccn2c(CN3CCC(C)CC3)c(-c3ccc(N)cc3)nc2c1
InChIInChI=1S/C21H26N4/c1-15-7-10-24(11-8-15)14-19-21(17-3-5-18(22)6-4-17)23-20-13-16(2)9-12-25(19)20/h3-6,9,12-13,15H,7-8,10-11,14,22H2,1-2H3
InChIKeyGQTYXXRUGBKEJA-UHFFFAOYSA-N
XLogP4.12
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline
CID 39120553
2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82028883
2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2758460
2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-amine
CID 165344231
3-(chloromethyl)-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine
CID 39133020
2-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 82058433
2-(4-bromophenyl)-3-ethyl-7-methylimidazo[1,2-a]pyridine
CID 100820877
2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
CID 63619163
3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 155082855
2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2760437
3-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine
CID 46981016
[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199352

Frequently Asked Questions

What is the IUPAC name of 4-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
The IUPAC name of 4-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline (CID 82028975) is 4-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline.
What is the SMILES notation for 4-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
The canonical SMILES for 4-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline is Cc1ccn2c(CN3CCC(C)CC3)c(-c3ccc(N)cc3)nc2c1.
What is the InChIKey of 4-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
The InChIKey is GQTYXXRUGBKEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-15-7-10-24(11-8-15)14-19-21(17-3-5-18(22)6-4-17)23-20-13-16(2)9-12-25(19)20/h3-6,9,12-13,15H,7-8,10-11,14,22H2,1-2H3.
What are the key properties of 4-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
4-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline has a molecular weight of 334.47 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline is sourced from PubChem (CID 82028975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).