trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

C19H19F3N6O — CID 139468711

About trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 139468711) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
• PubChem CID: 139468711
• Molecular Formula: C19H19F3N6O
• Molecular Weight: 404.40 g/mol
• Exact Mass: 404.16
• IUPAC Name: trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
• SMILES: Cc1nn(C)c(C)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)(F)F)ncc2c(N)n1
• InChI: InChI=1S/C19H19F3N6O/c1-8-16(9(2)28(3)27-8)14-4-10-5-15(24-7-12(10)17(23)25-14)26-18(29)11-6-13(11)19(20,21)22/h4-5,7,11,13H,6H2,1-3H3,(H2,23,25)(H,24,26,29)/t11-,13-/m0/s1
• InChIKey: UMQQVULWTLZUKQ-AAEUAGOBSA-N
• XLogP: 3.37
• TPSA: 98.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.40
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?

The IUPAC name of trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (CID 139468711) is trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is Cc1nn(C)c(C)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)(F)F)ncc2c(N)n1.

What is the InChIKey of trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?

The InChIKey is UMQQVULWTLZUKQ-AAEUAGOBSA-N. The full InChI is InChI=1S/C19H19F3N6O/c1-8-16(9(2)28(3)27-8)14-4-10-5-15(24-7-12(10)17(23)25-14)26-18(29)11-6-13(11)19(20,21)22/h4-5,7,11,13H,6H2,1-3H3,(H2,23,25)(H,24,26,29)/t11-,13-/m0/s1.

What are the key properties of trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?

trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 404.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 139468711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).