cis-(1S,2S)-N-[8-amino-6-[(2R)-2-propylpyrrolidin-1-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

C19H24FN5O — CID 142447473

About cis-(1S,2S)-N-[8-amino-6-[(2R)-2-propylpyrrolidin-1-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[8-amino-6-[(2R)-2-propylpyrrolidin-1-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 142447473) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-[(2R)-2-propylpyrrolidin-1-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,2S)-N-[8-amino-6-[(2R)-2-propylpyrrolidin-1-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 142447473
• Molecular Formula: C19H24FN5O
• Molecular Weight: 357.43 g/mol
• Exact Mass: 357.20
• IUPAC Name: cis-(1S,2S)-N-[8-amino-6-[(2R)-2-propylpyrrolidin-1-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: CCC[C@@H]1CCCN1c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1
• InChI: InChI=1S/C19H24FN5O/c1-2-4-12-5-3-6-25(12)17-8-11-7-16(22-10-14(11)18(21)24-17)23-19(26)13-9-15(13)20/h7-8,10,12-13,15H,2-6,9H2,1H3,(H2,21,24)(H,22,23,26)/t12-,13-,15+/m1/s1
• InChIKey: VOLDNMAFGHXGOU-NFAWXSAZSA-N
• XLogP: 3.28
• TPSA: 84.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.43
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[8-amino-6-[(2R)-2-propylpyrrolidin-1-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of cis-(1S,2S)-N-[8-amino-6-[(2R)-2-propylpyrrolidin-1-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 142447473) is cis-(1S,2S)-N-[8-amino-6-[(2R)-2-propylpyrrolidin-1-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1S,2S)-N-[8-amino-6-[(2R)-2-propylpyrrolidin-1-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,2S)-N-[8-amino-6-[(2R)-2-propylpyrrolidin-1-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is CCC[C@@H]1CCCN1c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1.

What is the InChIKey of cis-(1S,2S)-N-[8-amino-6-[(2R)-2-propylpyrrolidin-1-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is VOLDNMAFGHXGOU-NFAWXSAZSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-2-4-12-5-3-6-25(12)17-8-11-7-16(22-10-14(11)18(21)24-17)23-19(26)13-9-15(13)20/h7-8,10,12-13,15H,2-6,9H2,1H3,(H2,21,24)(H,22,23,26)/t12-,13-,15+/m1/s1.

What are the key properties of cis-(1S,2S)-N-[8-amino-6-[(2R)-2-propylpyrrolidin-1-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

cis-(1S,2S)-N-[8-amino-6-[(2R)-2-propylpyrrolidin-1-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-N-[8-amino-6-[(2R)-2-propylpyrrolidin-1-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 142447473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).