6-[7-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-3,5-difluoropyridin-2-amine

C20H23F2N5 — CID 169129914

IUPAC6-[7-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-3,5-difluoropyridin-2-amine
SMILESNc1nc(-c2cnc3cc(CNCC4CCCCC4)ccn23)c(F)cc1F
InChIInChI=1S/C20H23F2N5/c21-15-9-16(22)20(23)26-19(15)17-12-25-18-8-14(6-7-27(17)18)11-24-10-13-4-2-1-3-5-13/h6-9,12-13,24H,1-5,10-11H2,(H2,23,26)
InChIKeyPAJLCZHDLJZOQY-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.93
Rot. Bonds5

About 6-[7-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-3,5-difluoropyridin-2-amine

6-[7-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-3,5-difluoropyridin-2-amine (PubChem CID 169129914) has the molecular formula C20H23F2N5 and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-[7-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-3,5-difluoropyridin-2-amine.

Molecular Properties

Compound Name6-[7-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-3,5-difluoropyridin-2-amine
PubChem CID169129914
Molecular FormulaC20H23F2N5
Molecular Weight371.44 g/mol
Exact Mass371.19
IUPAC Name6-[7-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-3,5-difluoropyridin-2-amine
SMILESNc1nc(-c2cnc3cc(CNCC4CCCCC4)ccn23)c(F)cc1F
InChIInChI=1S/C20H23F2N5/c21-15-9-16(22)20(23)26-19(15)17-12-25-18-8-14(6-7-27(17)18)11-24-10-13-4-2-1-3-5-13/h6-9,12-13,24H,1-5,10-11H2,(H2,23,26)
InChIKeyPAJLCZHDLJZOQY-UHFFFAOYSA-N
XLogP3.93
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[7-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-3,5-difluoropyridin-2-amine?
The IUPAC name of 6-[7-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-3,5-difluoropyridin-2-amine (CID 169129914) is 6-[7-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-3,5-difluoropyridin-2-amine.
What is the SMILES notation for 6-[7-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-3,5-difluoropyridin-2-amine?
The canonical SMILES for 6-[7-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-3,5-difluoropyridin-2-amine is Nc1nc(-c2cnc3cc(CNCC4CCCCC4)ccn23)c(F)cc1F.
What is the InChIKey of 6-[7-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-3,5-difluoropyridin-2-amine?
The InChIKey is PAJLCZHDLJZOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5/c21-15-9-16(22)20(23)26-19(15)17-12-25-18-8-14(6-7-27(17)18)11-24-10-13-4-2-1-3-5-13/h6-9,12-13,24H,1-5,10-11H2,(H2,23,26).
What are the key properties of 6-[7-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-3,5-difluoropyridin-2-amine?
6-[7-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-3,5-difluoropyridin-2-amine has a molecular weight of 371.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-3,5-difluoropyridin-2-amine is sourced from PubChem (CID 169129914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).