7-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide

C22H24F3N9O3 — CID 146199692

IUPAC7-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide
SMILESC[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)NCCC(F)(F)F)C3)n1
InChIInChI=1S/C22H24F3N9O3/c1-13(12-35)34-19(30-31-32-34)16-3-2-4-18(28-16)29-20(36)17-9-15-11-33(8-5-14(15)10-27-17)21(37)26-7-6-22(23,24)25/h2-4,9-10,13,35H,5-8,11-12H2,1H3,(H,26,37)(H,28,29,36)/t13-/m1/s1
InChIKeyZRKBSMNLERPLOY-CYBMUJFWSA-N
MW519.49 g/mol
LogP1.96
Rot. Bonds7

About 7-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide

7-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide (PubChem CID 146199692) has the molecular formula C22H24F3N9O3 and a molecular weight of 519.49 g/mol. Its IUPAC name is 7-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide
PubChem CID146199692
Molecular FormulaC22H24F3N9O3
Molecular Weight519.49 g/mol
Exact Mass519.20
IUPAC Name7-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide
SMILESC[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)NCCC(F)(F)F)C3)n1
InChIInChI=1S/C22H24F3N9O3/c1-13(12-35)34-19(30-31-32-34)16-3-2-4-18(28-16)29-20(36)17-9-15-11-33(8-5-14(15)10-27-17)21(37)26-7-6-22(23,24)25/h2-4,9-10,13,35H,5-8,11-12H2,1H3,(H,26,37)(H,28,29,36)/t13-/m1/s1
InChIKeyZRKBSMNLERPLOY-CYBMUJFWSA-N
XLogP1.96
TPSA151.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.49
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide?
The IUPAC name of 7-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide (CID 146199692) is 7-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide.
What is the SMILES notation for 7-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide?
The canonical SMILES for 7-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide is C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)NCCC(F)(F)F)C3)n1.
What is the InChIKey of 7-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide?
The InChIKey is ZRKBSMNLERPLOY-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H24F3N9O3/c1-13(12-35)34-19(30-31-32-34)16-3-2-4-18(28-16)29-20(36)17-9-15-11-33(8-5-14(15)10-27-17)21(37)26-7-6-22(23,24)25/h2-4,9-10,13,35H,5-8,11-12H2,1H3,(H,26,37)(H,28,29,36)/t13-/m1/s1.
What are the key properties of 7-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide?
7-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide has a molecular weight of 519.49 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide is sourced from PubChem (CID 146199692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).