4-amino-N-ethyl-1,3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide

C21H20F3N7O — CID 163383417

IUPAC4-amino-N-ethyl-1,3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide
SMILESCCN(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cc2c(cn1)nc(N)c1c(C)nn(C)c12
InChIInChI=1S/C21H20F3N7O/c1-4-31(10-13-6-5-12(8-26-13)21(22,23)24)20(32)15-7-14-16(9-27-15)28-19(25)17-11(2)29-30(3)18(14)17/h5-9H,4,10H2,1-3H3,(H2,25,28)
InChIKeySIRCBIXYUNCVBS-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.48
Rot. Bonds4

About 4-amino-N-ethyl-1,3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide

4-amino-N-ethyl-1,3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide (PubChem CID 163383417) has the molecular formula C21H20F3N7O and a molecular weight of 443.43 g/mol. Its IUPAC name is 4-amino-N-ethyl-1,3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-1,3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide
PubChem CID163383417
Molecular FormulaC21H20F3N7O
Molecular Weight443.43 g/mol
Exact Mass443.17
IUPAC Name4-amino-N-ethyl-1,3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide
SMILESCCN(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cc2c(cn1)nc(N)c1c(C)nn(C)c12
InChIInChI=1S/C21H20F3N7O/c1-4-31(10-13-6-5-12(8-26-13)21(22,23)24)20(32)15-7-14-16(9-27-15)28-19(25)17-11(2)29-30(3)18(14)17/h5-9H,4,10H2,1-3H3,(H2,25,28)
InChIKeySIRCBIXYUNCVBS-UHFFFAOYSA-N
XLogP3.48
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-1,3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide?
The IUPAC name of 4-amino-N-ethyl-1,3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide (CID 163383417) is 4-amino-N-ethyl-1,3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-1,3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-1,3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide is CCN(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cc2c(cn1)nc(N)c1c(C)nn(C)c12.
What is the InChIKey of 4-amino-N-ethyl-1,3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide?
The InChIKey is SIRCBIXYUNCVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O/c1-4-31(10-13-6-5-12(8-26-13)21(22,23)24)20(32)15-7-14-16(9-27-15)28-19(25)17-11(2)29-30(3)18(14)17/h5-9H,4,10H2,1-3H3,(H2,25,28).
What are the key properties of 4-amino-N-ethyl-1,3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide?
4-amino-N-ethyl-1,3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-1,3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide is sourced from PubChem (CID 163383417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).