4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one

C28H31F2N7O — CID 134342213

About 4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one

4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one (PubChem CID 134342213) has the molecular formula C28H31F2N7O and a molecular weight of 519.60 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one.

Molecular Properties

• Compound Name: 4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
• PubChem CID: 134342213
• Molecular Formula: C28H31F2N7O
• Molecular Weight: 519.60 g/mol
• Exact Mass: 519.26
• IUPAC Name: 4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
• SMILES: Cc1cc2c(F)cc(-c3nc(Nc4ccc(N5CCC(N(C)C)CC5=O)cn4)ncc3F)cc2n1C(C)C
• InChI: InChI=1S/C28H31F2N7O/c1-16(2)37-17(3)10-21-22(29)11-18(12-24(21)37)27-23(30)15-32-28(34-27)33-25-7-6-20(14-31-25)36-9-8-19(35(4)5)13-26(36)38/h6-7,10-12,14-16,19H,8-9,13H2,1-5H3,(H,31,32,33,34)
• InChIKey: RHKGXTAJLBUXOI-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.60
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one?

The IUPAC name of 4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one (CID 134342213) is 4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one.

What is the SMILES notation for 4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one?

The canonical SMILES for 4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one is Cc1cc2c(F)cc(-c3nc(Nc4ccc(N5CCC(N(C)C)CC5=O)cn4)ncc3F)cc2n1C(C)C.

What is the InChIKey of 4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one?

The InChIKey is RHKGXTAJLBUXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F2N7O/c1-16(2)37-17(3)10-21-22(29)11-18(12-24(21)37)27-23(30)15-32-28(34-27)33-25-7-6-20(14-31-25)36-9-8-19(35(4)5)13-26(36)38/h6-7,10-12,14-16,19H,8-9,13H2,1-5H3,(H,31,32,33,34).

What are the key properties of 4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one?

4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one has a molecular weight of 519.60 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one is sourced from PubChem (CID 134342213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).