cis-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide

C20H18FN7O — CID 170627102

IUPACcis-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILES[2H]C([2H])([2H])Nc1ncc(-c2nc3ccc(C)cn3n2)c2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12
InChIInChI=1S/C20H18FN7O/c1-10-3-4-17-26-19(27-28(17)9-10)14-8-24-18(22-2)13-7-23-16(6-11(13)14)25-20(29)12-5-15(12)21/h3-4,6-9,12,15H,5H2,1-2H3,(H,22,24)(H,23,25,29)/t12-,15+/m1/s1/i2D3
InChIKeyJHPXWZOKUWGWLP-LNWIJQOZSA-N
MW394.43 g/mol
LogP2.99
Rot. Bonds5

About cis-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide (PubChem CID 170627102) has the molecular formula C20H18FN7O and a molecular weight of 394.43 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
PubChem CID170627102
Molecular FormulaC20H18FN7O
Molecular Weight394.43 g/mol
Exact Mass394.17
IUPAC Namecis-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILES[2H]C([2H])([2H])Nc1ncc(-c2nc3ccc(C)cn3n2)c2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12
InChIInChI=1S/C20H18FN7O/c1-10-3-4-17-26-19(27-28(17)9-10)14-8-24-18(22-2)13-7-23-16(6-11(13)14)25-20(29)12-5-15(12)21/h3-4,6-9,12,15H,5H2,1-2H3,(H,22,24)(H,23,25,29)/t12-,15+/m1/s1/i2D3
InChIKeyJHPXWZOKUWGWLP-LNWIJQOZSA-N
XLogP2.99
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze cis-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide (CID 170627102) is cis-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide is [2H]C([2H])([2H])Nc1ncc(-c2nc3ccc(C)cn3n2)c2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is JHPXWZOKUWGWLP-LNWIJQOZSA-N. The full InChI is InChI=1S/C20H18FN7O/c1-10-3-4-17-26-19(27-28(17)9-10)14-8-24-18(22-2)13-7-23-16(6-11(13)14)25-20(29)12-5-15(12)21/h3-4,6-9,12,15H,5H2,1-2H3,(H,22,24)(H,23,25,29)/t12-,15+/m1/s1/i2D3.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 170627102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).