[6-(2,4-dichlorophenyl)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-7-yl]methanamine

C24H30Cl2N6 — CID 24849696

IUPAC[6-(2,4-dichlorophenyl)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-7-yl]methanamine
SMILESCN1CCC(N2CCN(c3cnc4cc(CN)c(-c5ccc(Cl)cc5Cl)cn34)CC2)CC1
InChIInChI=1S/C24H30Cl2N6/c1-29-6-4-19(5-7-29)30-8-10-31(11-9-30)24-15-28-23-12-17(14-27)21(16-32(23)24)20-3-2-18(25)13-22(20)26/h2-3,12-13,15-16,19H,4-11,14,27H2,1H3
InChIKeyFMFMOFFUIDFHJF-UHFFFAOYSA-N
MW473.45 g/mol
LogP3.98
Rot. Bonds4

About [6-(2,4-dichlorophenyl)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-7-yl]methanamine

[6-(2,4-dichlorophenyl)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-7-yl]methanamine (PubChem CID 24849696) has the molecular formula C24H30Cl2N6 and a molecular weight of 473.45 g/mol. Its IUPAC name is [6-(2,4-dichlorophenyl)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[6-(2,4-dichlorophenyl)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-7-yl]methanamine
PubChem CID24849696
Molecular FormulaC24H30Cl2N6
Molecular Weight473.45 g/mol
Exact Mass472.19
IUPAC Name[6-(2,4-dichlorophenyl)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-7-yl]methanamine
SMILESCN1CCC(N2CCN(c3cnc4cc(CN)c(-c5ccc(Cl)cc5Cl)cn34)CC2)CC1
InChIInChI=1S/C24H30Cl2N6/c1-29-6-4-19(5-7-29)30-8-10-31(11-9-30)24-15-28-23-12-17(14-27)21(16-32(23)24)20-3-2-18(25)13-22(20)26/h2-3,12-13,15-16,19H,4-11,14,27H2,1H3
InChIKeyFMFMOFFUIDFHJF-UHFFFAOYSA-N
XLogP3.98
TPSA53.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(2,4-dichlorophenyl)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-7-yl]methanamine?
The IUPAC name of [6-(2,4-dichlorophenyl)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-7-yl]methanamine (CID 24849696) is [6-(2,4-dichlorophenyl)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [6-(2,4-dichlorophenyl)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-7-yl]methanamine?
The canonical SMILES for [6-(2,4-dichlorophenyl)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-7-yl]methanamine is CN1CCC(N2CCN(c3cnc4cc(CN)c(-c5ccc(Cl)cc5Cl)cn34)CC2)CC1.
What is the InChIKey of [6-(2,4-dichlorophenyl)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-7-yl]methanamine?
The InChIKey is FMFMOFFUIDFHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N6/c1-29-6-4-19(5-7-29)30-8-10-31(11-9-30)24-15-28-23-12-17(14-27)21(16-32(23)24)20-3-2-18(25)13-22(20)26/h2-3,12-13,15-16,19H,4-11,14,27H2,1H3.
What are the key properties of [6-(2,4-dichlorophenyl)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-7-yl]methanamine?
[6-(2,4-dichlorophenyl)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-7-yl]methanamine has a molecular weight of 473.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4-dichlorophenyl)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 24849696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).