N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(trifluoromethyl)benzamide

C19H20F3N5O — CID 22729630

IUPACN-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCc1nc(N)c2nc(C)n(CCNC(=O)c3cccc(C(F)(F)F)c3)c2c1C
InChIInChI=1S/C19H20F3N5O/c1-10-11(2)25-17(23)15-16(10)27(12(3)26-15)8-7-24-18(28)13-5-4-6-14(9-13)19(20,21)22/h4-6,9H,7-8H2,1-3H3,(H2,23,25)(H,24,28)
InChIKeyPGCGNYLQFIARBU-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.39
Rot. Bonds4

About N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(trifluoromethyl)benzamide

N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 22729630) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID22729630
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC NameN-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCc1nc(N)c2nc(C)n(CCNC(=O)c3cccc(C(F)(F)F)c3)c2c1C
InChIInChI=1S/C19H20F3N5O/c1-10-11(2)25-17(23)15-16(10)27(12(3)26-15)8-7-24-18(28)13-5-4-6-14(9-13)19(20,21)22/h4-6,9H,7-8H2,1-3H3,(H2,23,25)(H,24,28)
InChIKeyPGCGNYLQFIARBU-UHFFFAOYSA-N
XLogP3.39
TPSA85.83 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 ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(trifluoromethyl)benzamide (CID 22729630) is N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(trifluoromethyl)benzamide is Cc1nc(N)c2nc(C)n(CCNC(=O)c3cccc(C(F)(F)F)c3)c2c1C.
What is the InChIKey of N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is PGCGNYLQFIARBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-10-11(2)25-17(23)15-16(10)27(12(3)26-15)8-7-24-18(28)13-5-4-6-14(9-13)19(20,21)22/h4-6,9H,7-8H2,1-3H3,(H2,23,25)(H,24,28).
What are the key properties of N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 391.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 22729630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).