5-[6-(difluoromethoxy)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide

C20H17F2N7O2 — CID 121359648

IUPAC5-[6-(difluoromethoxy)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
SMILESO=C(Nc1cnccn1)N1c2nc(-c3ccc(OC(F)F)nc3)ccc2N2CCC1C2
InChIInChI=1S/C20H17F2N7O2/c21-19(22)31-17-4-1-12(9-25-17)14-2-3-15-18(26-14)29(13-5-8-28(15)11-13)20(30)27-16-10-23-6-7-24-16/h1-4,6-7,9-10,13,19H,5,8,11H2,(H,24,27,30)
InChIKeyOPWOTHIYOWVMFM-UHFFFAOYSA-N
MW425.40 g/mol
LogP3.17
Rot. Bonds4

About 5-[6-(difluoromethoxy)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide

5-[6-(difluoromethoxy)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide (PubChem CID 121359648) has the molecular formula C20H17F2N7O2 and a molecular weight of 425.40 g/mol. Its IUPAC name is 5-[6-(difluoromethoxy)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide.

Molecular Properties

Compound Name5-[6-(difluoromethoxy)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
PubChem CID121359648
Molecular FormulaC20H17F2N7O2
Molecular Weight425.40 g/mol
Exact Mass425.14
IUPAC Name5-[6-(difluoromethoxy)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
SMILESO=C(Nc1cnccn1)N1c2nc(-c3ccc(OC(F)F)nc3)ccc2N2CCC1C2
InChIInChI=1S/C20H17F2N7O2/c21-19(22)31-17-4-1-12(9-25-17)14-2-3-15-18(26-14)29(13-5-8-28(15)11-13)20(30)27-16-10-23-6-7-24-16/h1-4,6-7,9-10,13,19H,5,8,11H2,(H,24,27,30)
InChIKeyOPWOTHIYOWVMFM-UHFFFAOYSA-N
XLogP3.17
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[6-(difluoromethoxy)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Leniolisib
CID 57495353
Pf-07258669
CID 164889476
Nesvategrast
CID 76899969
6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 42628078
4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45267764
2-(4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-2-ylamino)-N,N-dimethylacetamide
CID 45268652
1-(1-Acetylpiperidin-4-yl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379543
(2S)-2-[6-(difluoromethoxy)-3-pyridinyl]-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
CID 166585467
(5S)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 139600336
8-(6-Methoxy-3-pyridinyl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379638
2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]propyl]-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 117949009
2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]butyl]-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 117949123

Frequently Asked Questions

What is the IUPAC name of 5-[6-(difluoromethoxy)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The IUPAC name of 5-[6-(difluoromethoxy)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide (CID 121359648) is 5-[6-(difluoromethoxy)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide.
What is the SMILES notation for 5-[6-(difluoromethoxy)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The canonical SMILES for 5-[6-(difluoromethoxy)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide is O=C(Nc1cnccn1)N1c2nc(-c3ccc(OC(F)F)nc3)ccc2N2CCC1C2.
What is the InChIKey of 5-[6-(difluoromethoxy)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The InChIKey is OPWOTHIYOWVMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N7O2/c21-19(22)31-17-4-1-12(9-25-17)14-2-3-15-18(26-14)29(13-5-8-28(15)11-13)20(30)27-16-10-23-6-7-24-16/h1-4,6-7,9-10,13,19H,5,8,11H2,(H,24,27,30).
What are the key properties of 5-[6-(difluoromethoxy)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
5-[6-(difluoromethoxy)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide has a molecular weight of 425.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(difluoromethoxy)-3-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide is sourced from PubChem (CID 121359648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).