3-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxamide

C28H31FN8O — CID 135202580

About 3-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxamide

3-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxamide (PubChem CID 135202580) has the molecular formula C28H31FN8O and a molecular weight of 514.61 g/mol. Its IUPAC name is 3-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxamide
• PubChem CID: 135202580
• Molecular Formula: C28H31FN8O
• Molecular Weight: 514.61 g/mol
• Exact Mass: 514.26
• IUPAC Name: 3-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxamide
• SMILES: CC(C)c1c2cc(-c3nc(Nc4ccc5c(n4)CCN(C4CC(C(N)=O)C4)C5)ncc3F)ccc2nn1C
• InChI: InChI=1S/C28H31FN8O/c1-15(2)26-20-12-16(4-6-23(20)35-36(26)3)25-21(29)13-31-28(34-25)33-24-7-5-17-14-37(9-8-22(17)32-24)19-10-18(11-19)27(30)38/h4-7,12-13,15,18-19H,8-11,14H2,1-3H3,(H2,30,38)(H,31,32,33,34)
• InChIKey: WEJAMNHZNRAVPI-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 114.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.61
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxamide?

The IUPAC name of 3-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxamide (CID 135202580) is 3-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxamide.

What is the SMILES notation for 3-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxamide?

The canonical SMILES for 3-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxamide is CC(C)c1c2cc(-c3nc(Nc4ccc5c(n4)CCN(C4CC(C(N)=O)C4)C5)ncc3F)ccc2nn1C.

What is the InChIKey of 3-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxamide?

The InChIKey is WEJAMNHZNRAVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN8O/c1-15(2)26-20-12-16(4-6-23(20)35-36(26)3)25-21(29)13-31-28(34-25)33-24-7-5-17-14-37(9-8-22(17)32-24)19-10-18(11-19)27(30)38/h4-7,12-13,15,18-19H,8-11,14H2,1-3H3,(H2,30,38)(H,31,32,33,34).

What are the key properties of 3-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxamide?

3-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxamide has a molecular weight of 514.61 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 135202580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).