(3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[5-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile

C25H30N8O2 — CID 145428218

About (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[5-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile

(3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[5-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile (PubChem CID 145428218) has the molecular formula C25H30N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[5-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile.

Molecular Properties

• Compound Name: (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[5-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile
• PubChem CID: 145428218
• Molecular Formula: C25H30N8O2
• Molecular Weight: 474.57 g/mol
• Exact Mass: 474.25
• IUPAC Name: (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[5-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile
• SMILES: Cc1cc(Nc2nccc(-c3cc(C#N)c4c(c3)[C@@](C)(CO)CN4)n2)n(C[C@@H]2CN(C)CCO2)n1
• InChI: InChI=1S/C25H30N8O2/c1-16-8-22(33(31-16)13-19-12-32(3)6-7-35-19)30-24-27-5-4-21(29-24)17-9-18(11-26)23-20(10-17)25(2,15-34)14-28-23/h4-5,8-10,19,28,34H,6-7,12-15H2,1-3H3,(H,27,29,30)/t19-,25+/m0/s1
• InChIKey: HJELSYOCTMKWRL-UQBPGWFLSA-N
• XLogP: 2.27
• TPSA: 124.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.57
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[5-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile?

The IUPAC name of (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[5-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile (CID 145428218) is (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[5-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile.

What is the SMILES notation for (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[5-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile?

The canonical SMILES for (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[5-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile is Cc1cc(Nc2nccc(-c3cc(C#N)c4c(c3)[C@@](C)(CO)CN4)n2)n(C[C@@H]2CN(C)CCO2)n1.

What is the InChIKey of (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[5-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile?

The InChIKey is HJELSYOCTMKWRL-UQBPGWFLSA-N. The full InChI is InChI=1S/C25H30N8O2/c1-16-8-22(33(31-16)13-19-12-32(3)6-7-35-19)30-24-27-5-4-21(29-24)17-9-18(11-26)23-20(10-17)25(2,15-34)14-28-23/h4-5,8-10,19,28,34H,6-7,12-15H2,1-3H3,(H,27,29,30)/t19-,25+/m0/s1.

What are the key properties of (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[5-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile?

(3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[5-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile has a molecular weight of 474.57 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[5-methyl-2-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile is sourced from PubChem (CID 145428218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).