[1-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridin-3-yl]methanamine

C14H17F2N3 — CID 172515085

IUPAC[1-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridin-3-yl]methanamine
SMILESNCc1nc(C2CCC(F)(F)CC2)c2ccccn12
InChIInChI=1S/C14H17F2N3/c15-14(16)6-4-10(5-7-14)13-11-3-1-2-8-19(11)12(9-17)18-13/h1-3,8,10H,4-7,9,17H2
InChIKeyRBIZQZQIAHTMCB-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.09
Rot. Bonds2

About [1-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridin-3-yl]methanamine

[1-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridin-3-yl]methanamine (PubChem CID 172515085) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [1-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridin-3-yl]methanamine
PubChem CID172515085
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[1-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridin-3-yl]methanamine
SMILESNCc1nc(C2CCC(F)(F)CC2)c2ccccn12
InChIInChI=1S/C14H17F2N3/c15-14(16)6-4-10(5-7-14)13-11-3-1-2-8-19(11)12(9-17)18-13/h1-3,8,10H,4-7,9,17H2
InChIKeyRBIZQZQIAHTMCB-UHFFFAOYSA-N
XLogP3.09
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridin-3-yl]methanamine?
The IUPAC name of [1-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridin-3-yl]methanamine (CID 172515085) is [1-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [1-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridin-3-yl]methanamine?
The canonical SMILES for [1-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridin-3-yl]methanamine is NCc1nc(C2CCC(F)(F)CC2)c2ccccn12.
What is the InChIKey of [1-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridin-3-yl]methanamine?
The InChIKey is RBIZQZQIAHTMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c15-14(16)6-4-10(5-7-14)13-11-3-1-2-8-19(11)12(9-17)18-13/h1-3,8,10H,4-7,9,17H2.
What are the key properties of [1-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridin-3-yl]methanamine?
[1-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridin-3-yl]methanamine has a molecular weight of 265.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 172515085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).