2-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-4-carboxamide;2,2,2-trifluoroacetic acid

C21H23F3N6O5 — CID 167907099

IUPAC2-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc2c(c(C)c1CNC(=O)c1cc(=O)[nH]c3c1CNCC3)c(=O)[nH]n2C.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22N6O3.C2HF3O2/c1-9-12(10(2)22-17-16(9)19(28)24-25(17)3)8-21-18(27)11-6-15(26)23-14-4-5-20-7-13(11)14;3-2(4,5)1(6)7/h6,20H,4-5,7-8H2,1-3H3,(H,21,27)(H,23,26)(H,24,28);(H,6,7)
InChIKeyGCLCLUHHQWNPEM-UHFFFAOYSA-N
MW496.45 g/mol
LogP0.78
Rot. Bonds3

About 2-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-4-carboxamide;2,2,2-trifluoroacetic acid

2-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 167907099) has the molecular formula C21H23F3N6O5 and a molecular weight of 496.45 g/mol. Its IUPAC name is 2-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID167907099
Molecular FormulaC21H23F3N6O5
Molecular Weight496.45 g/mol
Exact Mass496.17
IUPAC Name2-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc2c(c(C)c1CNC(=O)c1cc(=O)[nH]c3c1CNCC3)c(=O)[nH]n2C.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22N6O3.C2HF3O2/c1-9-12(10(2)22-17-16(9)19(28)24-25(17)3)8-21-18(27)11-6-15(26)23-14-4-5-20-7-13(11)14;3-2(4,5)1(6)7/h6,20H,4-5,7-8H2,1-3H3,(H,21,27)(H,23,26)(H,24,28);(H,6,7)
InChIKeyGCLCLUHHQWNPEM-UHFFFAOYSA-N
XLogP0.78
TPSA161.97 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.45
LogP ≤ 50.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 167907099) is 2-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-4-carboxamide;2,2,2-trifluoroacetic acid is Cc1nc2c(c(C)c1CNC(=O)c1cc(=O)[nH]c3c1CNCC3)c(=O)[nH]n2C.O=C(O)C(F)(F)F.
What is the InChIKey of 2-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GCLCLUHHQWNPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3.C2HF3O2/c1-9-12(10(2)22-17-16(9)19(28)24-25(17)3)8-21-18(27)11-6-15(26)23-14-4-5-20-7-13(11)14;3-2(4,5)1(6)7/h6,20H,4-5,7-8H2,1-3H3,(H,21,27)(H,23,26)(H,24,28);(H,6,7).
What are the key properties of 2-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
2-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 496.45 g/mol, XLogP of 0.78, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167907099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).