6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide

C19H13F3N6O2 — CID 70848040

IUPAC6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-n2c(-c3ccc(C(N)=O)cn3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C19H13F3N6O2/c1-30-15-5-3-12(9-25-15)28-17-14(6-11(8-26-17)19(20,21)22)27-18(28)13-4-2-10(7-24-13)16(23)29/h2-9H,1H3,(H2,23,29)
InChIKeySIJXUPCEVNIWDY-UHFFFAOYSA-N
MW414.35 g/mol
LogP3.00
Rot. Bonds4

About 6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide

6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide (PubChem CID 70848040) has the molecular formula C19H13F3N6O2 and a molecular weight of 414.35 g/mol. Its IUPAC name is 6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
PubChem CID70848040
Molecular FormulaC19H13F3N6O2
Molecular Weight414.35 g/mol
Exact Mass414.11
IUPAC Name6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-n2c(-c3ccc(C(N)=O)cn3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C19H13F3N6O2/c1-30-15-5-3-12(9-25-15)28-17-14(6-11(8-26-17)19(20,21)22)27-18(28)13-4-2-10(7-24-13)16(23)29/h2-9H,1H3,(H2,23,29)
InChIKeySIJXUPCEVNIWDY-UHFFFAOYSA-N
XLogP3.00
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide (CID 70848040) is 6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide is COc1ccc(-n2c(-c3ccc(C(N)=O)cn3)nc3cc(C(F)(F)F)cnc32)cn1.
What is the InChIKey of 6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
The InChIKey is SIJXUPCEVNIWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6O2/c1-30-15-5-3-12(9-25-15)28-17-14(6-11(8-26-17)19(20,21)22)27-18(28)13-4-2-10(7-24-13)16(23)29/h2-9H,1H3,(H2,23,29).
What are the key properties of 6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide has a molecular weight of 414.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 70848040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).