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

C19H20F3N5O2 — CID 22729638

IUPACN-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
SMILESCc1nc(N)c2nc(C)n(CCNC(=O)c3ccc(OC(F)(F)F)cc3)c2c1C
InChIInChI=1S/C19H20F3N5O2/c1-10-11(2)25-17(23)15-16(10)27(12(3)26-15)9-8-24-18(28)13-4-6-14(7-5-13)29-19(20,21)22/h4-7H,8-9H2,1-3H3,(H2,23,25)(H,24,28)
InChIKeyNLADXUMIQSUBBV-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.27
Rot. Bonds5

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

N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 22729638) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
PubChem CID22729638
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC NameN-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
SMILESCc1nc(N)c2nc(C)n(CCNC(=O)c3ccc(OC(F)(F)F)cc3)c2c1C
InChIInChI=1S/C19H20F3N5O2/c1-10-11(2)25-17(23)15-16(10)27(12(3)26-15)9-8-24-18(28)13-4-6-14(7-5-13)29-19(20,21)22/h4-7H,8-9H2,1-3H3,(H2,23,25)(H,24,28)
InChIKeyNLADXUMIQSUBBV-UHFFFAOYSA-N
XLogP3.27
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide (CID 22729638) is N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide is Cc1nc(N)c2nc(C)n(CCNC(=O)c3ccc(OC(F)(F)F)cc3)c2c1C.
What is the InChIKey of N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is NLADXUMIQSUBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-10-11(2)25-17(23)15-16(10)27(12(3)26-15)9-8-24-18(28)13-4-6-14(7-5-13)29-19(20,21)22/h4-7H,8-9H2,1-3H3,(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]-4-(trifluoromethoxy)benzamide?
N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 407.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 22729638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).