7-(aminomethyl)-6-(2-chlorophenyl)-N-ethyl-3-morpholin-4-ylimidazo[1,2-a]pyridin-8-amine;fluoromethane

C21H27ClFN5O — CID 143550748

IUPAC7-(aminomethyl)-6-(2-chlorophenyl)-N-ethyl-3-morpholin-4-ylimidazo[1,2-a]pyridin-8-amine;fluoromethane
SMILESCCNc1c(CN)c(-c2ccccc2Cl)cn2c(N3CCOCC3)cnc12.CF
InChIInChI=1S/C20H24ClN5O.CH3F/c1-2-23-19-15(11-22)16(14-5-3-4-6-17(14)21)13-26-18(12-24-20(19)26)25-7-9-27-10-8-25;1-2/h3-6,12-13,23H,2,7-11,22H2,1H3;1H3
InChIKeyREDJLSMRYIGEGL-UHFFFAOYSA-N
MW419.93 g/mol
LogP3.97
Rot. Bonds5

About 7-(aminomethyl)-6-(2-chlorophenyl)-N-ethyl-3-morpholin-4-ylimidazo[1,2-a]pyridin-8-amine;fluoromethane

7-(aminomethyl)-6-(2-chlorophenyl)-N-ethyl-3-morpholin-4-ylimidazo[1,2-a]pyridin-8-amine;fluoromethane (PubChem CID 143550748) has the molecular formula C21H27ClFN5O and a molecular weight of 419.93 g/mol. Its IUPAC name is 7-(aminomethyl)-6-(2-chlorophenyl)-N-ethyl-3-morpholin-4-ylimidazo[1,2-a]pyridin-8-amine;fluoromethane.

Molecular Properties

Compound Name7-(aminomethyl)-6-(2-chlorophenyl)-N-ethyl-3-morpholin-4-ylimidazo[1,2-a]pyridin-8-amine;fluoromethane
PubChem CID143550748
Molecular FormulaC21H27ClFN5O
Molecular Weight419.93 g/mol
Exact Mass419.19
IUPAC Name7-(aminomethyl)-6-(2-chlorophenyl)-N-ethyl-3-morpholin-4-ylimidazo[1,2-a]pyridin-8-amine;fluoromethane
SMILESCCNc1c(CN)c(-c2ccccc2Cl)cn2c(N3CCOCC3)cnc12.CF
InChIInChI=1S/C20H24ClN5O.CH3F/c1-2-23-19-15(11-22)16(14-5-3-4-6-17(14)21)13-26-18(12-24-20(19)26)25-7-9-27-10-8-25;1-2/h3-6,12-13,23H,2,7-11,22H2,1H3;1H3
InChIKeyREDJLSMRYIGEGL-UHFFFAOYSA-N
XLogP3.97
TPSA67.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-6-(2-chlorophenyl)-N-ethyl-3-morpholin-4-ylimidazo[1,2-a]pyridin-8-amine;fluoromethane?
The IUPAC name of 7-(aminomethyl)-6-(2-chlorophenyl)-N-ethyl-3-morpholin-4-ylimidazo[1,2-a]pyridin-8-amine;fluoromethane (CID 143550748) is 7-(aminomethyl)-6-(2-chlorophenyl)-N-ethyl-3-morpholin-4-ylimidazo[1,2-a]pyridin-8-amine;fluoromethane.
What is the SMILES notation for 7-(aminomethyl)-6-(2-chlorophenyl)-N-ethyl-3-morpholin-4-ylimidazo[1,2-a]pyridin-8-amine;fluoromethane?
The canonical SMILES for 7-(aminomethyl)-6-(2-chlorophenyl)-N-ethyl-3-morpholin-4-ylimidazo[1,2-a]pyridin-8-amine;fluoromethane is CCNc1c(CN)c(-c2ccccc2Cl)cn2c(N3CCOCC3)cnc12.CF.
What is the InChIKey of 7-(aminomethyl)-6-(2-chlorophenyl)-N-ethyl-3-morpholin-4-ylimidazo[1,2-a]pyridin-8-amine;fluoromethane?
The InChIKey is REDJLSMRYIGEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O.CH3F/c1-2-23-19-15(11-22)16(14-5-3-4-6-17(14)21)13-26-18(12-24-20(19)26)25-7-9-27-10-8-25;1-2/h3-6,12-13,23H,2,7-11,22H2,1H3;1H3.
What are the key properties of 7-(aminomethyl)-6-(2-chlorophenyl)-N-ethyl-3-morpholin-4-ylimidazo[1,2-a]pyridin-8-amine;fluoromethane?
7-(aminomethyl)-6-(2-chlorophenyl)-N-ethyl-3-morpholin-4-ylimidazo[1,2-a]pyridin-8-amine;fluoromethane has a molecular weight of 419.93 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-6-(2-chlorophenyl)-N-ethyl-3-morpholin-4-ylimidazo[1,2-a]pyridin-8-amine;fluoromethane is sourced from PubChem (CID 143550748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).