[1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methanamine

C19H20F3N5O — CID 162646197

IUPAC[1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methanamine
SMILESNCC1CCN(c2nccc3[nH]c(-c4cccc(OC(F)(F)F)c4)nc23)CC1
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)28-14-3-1-2-13(10-14)17-25-15-4-7-24-18(16(15)26-17)27-8-5-12(11-23)6-9-27/h1-4,7,10,12H,5-6,8-9,11,23H2,(H,25,26)
InChIKeySVSFXKHBWJMJOW-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.70
Rot. Bonds4

About [1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methanamine

[1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methanamine (PubChem CID 162646197) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is [1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methanamine
PubChem CID162646197
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name[1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methanamine
SMILESNCC1CCN(c2nccc3[nH]c(-c4cccc(OC(F)(F)F)c4)nc23)CC1
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)28-14-3-1-2-13(10-14)17-25-15-4-7-24-18(16(15)26-17)27-8-5-12(11-23)6-9-27/h1-4,7,10,12H,5-6,8-9,11,23H2,(H,25,26)
InChIKeySVSFXKHBWJMJOW-UHFFFAOYSA-N
XLogP3.70
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methanamine (CID 162646197) is [1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methanamine is NCC1CCN(c2nccc3[nH]c(-c4cccc(OC(F)(F)F)c4)nc23)CC1.
What is the InChIKey of [1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methanamine?
The InChIKey is SVSFXKHBWJMJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c20-19(21,22)28-14-3-1-2-13(10-14)17-25-15-4-7-24-18(16(15)26-17)27-8-5-12(11-23)6-9-27/h1-4,7,10,12H,5-6,8-9,11,23H2,(H,25,26).
What are the key properties of [1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methanamine?
[1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methanamine has a molecular weight of 391.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 162646197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).