(2S)-1-[[3-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-6-ethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol

C26H31N5O — CID 59083146

About (2S)-1-[[3-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-6-ethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol

(2S)-1-[[3-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-6-ethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 59083146) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is (2S)-1-[[3-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-6-ethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[[3-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-6-ethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
• PubChem CID: 59083146
• Molecular Formula: C26H31N5O
• Molecular Weight: 429.57 g/mol
• Exact Mass: 429.25
• IUPAC Name: (2S)-1-[[3-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-6-ethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
• SMILES: CCc1nc(NC2c3ccccc3C[C@@H]2O)c(C2CC2)nc1-c1cnc(N(C)C)cc1C
• InChI: InChI=1S/C26H31N5O/c1-5-20-24(19-14-27-22(31(3)4)12-15(19)2)29-23(16-10-11-16)26(28-20)30-25-18-9-7-6-8-17(18)13-21(25)32/h6-9,12,14,16,21,25,32H,5,10-11,13H2,1-4H3,(H,28,30)/t21-,25?/m0/s1
• InChIKey: XOXJSWBQIVFBIT-BWDMCYIDSA-N
• XLogP: 4.42
• TPSA: 74.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.57
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[3-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-6-ethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?

The IUPAC name of (2S)-1-[[3-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-6-ethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol (CID 59083146) is (2S)-1-[[3-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-6-ethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol.

What is the SMILES notation for (2S)-1-[[3-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-6-ethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?

The canonical SMILES for (2S)-1-[[3-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-6-ethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol is CCc1nc(NC2c3ccccc3C[C@@H]2O)c(C2CC2)nc1-c1cnc(N(C)C)cc1C.

What is the InChIKey of (2S)-1-[[3-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-6-ethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?

The InChIKey is XOXJSWBQIVFBIT-BWDMCYIDSA-N. The full InChI is InChI=1S/C26H31N5O/c1-5-20-24(19-14-27-22(31(3)4)12-15(19)2)29-23(16-10-11-16)26(28-20)30-25-18-9-7-6-8-17(18)13-21(25)32/h6-9,12,14,16,21,25,32H,5,10-11,13H2,1-4H3,(H,28,30)/t21-,25?/m0/s1.

What are the key properties of (2S)-1-[[3-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-6-ethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?

(2S)-1-[[3-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-6-ethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 429.57 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[[3-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-6-ethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 59083146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).