2-fluoro-N-[4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropane-1-carboxamide

C28H28FN7O3 — CID 177348288

About 2-fluoro-N-[4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropane-1-carboxamide

2-fluoro-N-[4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 177348288) has the molecular formula C28H28FN7O3 and a molecular weight of 529.58 g/mol. Its IUPAC name is 2-fluoro-N-[4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropane-1-carboxamide
• PubChem CID: 177348288
• Molecular Formula: C28H28FN7O3
• Molecular Weight: 529.58 g/mol
• Exact Mass: 529.22
• IUPAC Name: 2-fluoro-N-[4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropane-1-carboxamide
• SMILES: CN1Cc2c(cnn2C2CCOCC2)-c2cccc(Nc3cc(NC(=O)C4CC4F)nc4cc[nH]c(=O)c34)c21
• InChI: InChI=1S/C28H28FN7O3/c1-35-14-23-18(13-31-36(23)15-6-9-39-10-7-15)16-3-2-4-21(26(16)35)32-22-12-24(34-27(37)17-11-19(17)29)33-20-5-8-30-28(38)25(20)22/h2-5,8,12-13,15,17,19H,6-7,9-11,14H2,1H3,(H,30,38)(H2,32,33,34,37)
• InChIKey: CHYCAXOUCYFIMA-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 117.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.58
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropane-1-carboxamide?

The IUPAC name of 2-fluoro-N-[4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropane-1-carboxamide (CID 177348288) is 2-fluoro-N-[4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2-fluoro-N-[4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 2-fluoro-N-[4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropane-1-carboxamide is CN1Cc2c(cnn2C2CCOCC2)-c2cccc(Nc3cc(NC(=O)C4CC4F)nc4cc[nH]c(=O)c34)c21.

What is the InChIKey of 2-fluoro-N-[4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropane-1-carboxamide?

The InChIKey is CHYCAXOUCYFIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN7O3/c1-35-14-23-18(13-31-36(23)15-6-9-39-10-7-15)16-3-2-4-21(26(16)35)32-22-12-24(34-27(37)17-11-19(17)29)33-20-5-8-30-28(38)25(20)22/h2-5,8,12-13,15,17,19H,6-7,9-11,14H2,1H3,(H,30,38)(H2,32,33,34,37).

What are the key properties of 2-fluoro-N-[4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropane-1-carboxamide?

2-fluoro-N-[4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 529.58 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 177348288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).