cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

C42H44F2N10O4 — CID 157171811

About cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 157171811) has the molecular formula C42H44F2N10O4 and a molecular weight of 790.88 g/mol. Its IUPAC name is cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 157171811
• Molecular Formula: C42H44F2N10O4
• Molecular Weight: 790.88 g/mol
• Exact Mass: 790.35
• IUPAC Name: cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: Cc1cc(C(C)(C)O)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1.Cc1cc(C(C)(C)O)ncc1-c1cc2cc(NC(=O)[C@H]3C[C@H]3F)ncc2c(N)n1
• InChI: InChI=1S/2C21H22FN5O2/c2*1-10-4-17(21(2,3)29)24-8-13(10)16-5-11-6-18(25-9-14(11)19(23)26-16)27-20(28)12-7-15(12)22/h2*4-6,8-9,12,15,29H,7H2,1-3H3,(H2,23,26)(H,25,27,28)/t2*12-,15+/m10/s1
• InChIKey: ANNZYADJGZJLRC-JBKAMFMRSA-N
• XLogP: 6.21
• TPSA: 228.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	790.88
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 157171811) is cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is Cc1cc(C(C)(C)O)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1.Cc1cc(C(C)(C)O)ncc1-c1cc2cc(NC(=O)[C@H]3C[C@H]3F)ncc2c(N)n1.

What is the InChIKey of cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is ANNZYADJGZJLRC-JBKAMFMRSA-N. The full InChI is InChI=1S/2C21H22FN5O2/c2*1-10-4-17(21(2,3)29)24-8-13(10)16-5-11-6-18(25-9-14(11)19(23)26-16)27-20(28)12-7-15(12)22/h2*4-6,8-9,12,15,29H,7H2,1-3H3,(H2,23,26)(H,25,27,28)/t2*12-,15+/m10/s1.

What are the key properties of cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 790.88 g/mol, XLogP of 6.21, 8 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 157171811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).