8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide

C20H20F3N9O2 — CID 140938704

IUPAC8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide
SMILESCc1ccc2c(NC(=O)N3c4nc(C(=O)NCC(F)(F)F)ncc4N4CCCC3C4)n[nH]c2n1
InChIInChI=1S/C20H20F3N9O2/c1-10-4-5-12-14(26-10)29-30-15(12)28-19(34)32-11-3-2-6-31(8-11)13-7-24-16(27-17(13)32)18(33)25-9-20(21,22)23/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,25,33)(H2,26,28,29,30,34)
InChIKeyFVWYPCMBXPXPBU-UHFFFAOYSA-N
MW475.44 g/mol
LogP2.37
Rot. Bonds3

About 8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide

8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide (PubChem CID 140938704) has the molecular formula C20H20F3N9O2 and a molecular weight of 475.44 g/mol. Its IUPAC name is 8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide.

Molecular Properties

Compound Name8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide
PubChem CID140938704
Molecular FormulaC20H20F3N9O2
Molecular Weight475.44 g/mol
Exact Mass475.17
IUPAC Name8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide
SMILESCc1ccc2c(NC(=O)N3c4nc(C(=O)NCC(F)(F)F)ncc4N4CCCC3C4)n[nH]c2n1
InChIInChI=1S/C20H20F3N9O2/c1-10-4-5-12-14(26-10)29-30-15(12)28-19(34)32-11-3-2-6-31(8-11)13-7-24-16(27-17(13)32)18(33)25-9-20(21,22)23/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,25,33)(H2,26,28,29,30,34)
InChIKeyFVWYPCMBXPXPBU-UHFFFAOYSA-N
XLogP2.37
TPSA132.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.44
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide with MolForge

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Related Compounds

1-Isopropyl-7-(2-methyl-6-(4H-1,2,4-triazol-3-yl)pyridin-3-yl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one
CID 58298326
1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379501
3-ethyl-7-[[4-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 168271645
4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one
CID 71253507
US11111247, Example 5
CID 146448865
1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379524
3-methyl-1-(1-methylpiperidin-4-yl)-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379526
1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379589
1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379594
1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379630
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazine-2-carboxamide
CID 118893891
US9593097, Example 167
CID 121409083

Frequently Asked Questions

What is the IUPAC name of 8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide?
The IUPAC name of 8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide (CID 140938704) is 8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide.
What is the SMILES notation for 8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide?
The canonical SMILES for 8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide is Cc1ccc2c(NC(=O)N3c4nc(C(=O)NCC(F)(F)F)ncc4N4CCCC3C4)n[nH]c2n1.
What is the InChIKey of 8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide?
The InChIKey is FVWYPCMBXPXPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N9O2/c1-10-4-5-12-14(26-10)29-30-15(12)28-19(34)32-11-3-2-6-31(8-11)13-7-24-16(27-17(13)32)18(33)25-9-20(21,22)23/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,25,33)(H2,26,28,29,30,34).
What are the key properties of 8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide?
8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide has a molecular weight of 475.44 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-5,8-dicarboxamide is sourced from PubChem (CID 140938704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).