(3R)-5-[2-[[6-(2-ethylbutoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile

C28H34N6O2 — CID 130268754

About (3R)-5-[2-[[6-(2-ethylbutoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile

(3R)-5-[2-[[6-(2-ethylbutoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile (PubChem CID 130268754) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is (3R)-5-[2-[[6-(2-ethylbutoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile.

Molecular Properties

• Compound Name: (3R)-5-[2-[[6-(2-ethylbutoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
• PubChem CID: 130268754
• Molecular Formula: C28H34N6O2
• Molecular Weight: 486.62 g/mol
• Exact Mass: 486.27
• IUPAC Name: (3R)-5-[2-[[6-(2-ethylbutoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
• SMILES: CCC(CC)COc1nc(C)c(Nc2nccc(-c3cc(C#N)c4c(c3)[C@@](C)(CO)CN4)n2)cc1C
• InChI: InChI=1S/C28H34N6O2/c1-6-19(7-2)14-36-26-17(3)10-24(18(4)32-26)34-27-30-9-8-23(33-27)20-11-21(13-29)25-22(12-20)28(5,16-35)15-31-25/h8-12,19,31,35H,6-7,14-16H2,1-5H3,(H,30,33,34)/t28-/m1/s1
• InChIKey: KPEIARKURLLFOC-MUUNZHRXSA-N
• XLogP: 5.26
• TPSA: 115.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.62
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[2-[[6-(2-ethylbutoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile?

The IUPAC name of (3R)-5-[2-[[6-(2-ethylbutoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile (CID 130268754) is (3R)-5-[2-[[6-(2-ethylbutoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile.

What is the SMILES notation for (3R)-5-[2-[[6-(2-ethylbutoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile?

The canonical SMILES for (3R)-5-[2-[[6-(2-ethylbutoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile is CCC(CC)COc1nc(C)c(Nc2nccc(-c3cc(C#N)c4c(c3)[C@@](C)(CO)CN4)n2)cc1C.

What is the InChIKey of (3R)-5-[2-[[6-(2-ethylbutoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile?

The InChIKey is KPEIARKURLLFOC-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-6-19(7-2)14-36-26-17(3)10-24(18(4)32-26)34-27-30-9-8-23(33-27)20-11-21(13-29)25-22(12-20)28(5,16-35)15-31-25/h8-12,19,31,35H,6-7,14-16H2,1-5H3,(H,30,33,34)/t28-/m1/s1.

What are the key properties of (3R)-5-[2-[[6-(2-ethylbutoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile?

(3R)-5-[2-[[6-(2-ethylbutoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile has a molecular weight of 486.62 g/mol, XLogP of 5.26, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[2-[[6-(2-ethylbutoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile is sourced from PubChem (CID 130268754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).