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

C28H35N5O — CID 59083179

IUPAC6-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine
SMILESCCO[C@H]1Cc2ccccc2C1Nc1nc(C2CC2)c(-c2cnc(N(C)C)cc2C)nc1CC
InChIInChI=1S/C28H35N5O/c1-6-22-28(32-26-20-11-9-8-10-19(20)15-23(26)34-7-2)31-25(18-12-13-18)27(30-22)21-16-29-24(33(4)5)14-17(21)3/h8-11,14,16,18,23,26H,6-7,12-13,15H2,1-5H3,(H,31,32)/t23-,26?/m0/s1
InChIKeyBURZVGAQLWBGLZ-ZZHFZYNASA-N
MW457.62 g/mol
LogP5.47
Rot. Bonds8

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

6-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine (PubChem CID 59083179) has the molecular formula C28H35N5O and a molecular weight of 457.62 g/mol. Its IUPAC name is 6-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine
PubChem CID59083179
Molecular FormulaC28H35N5O
Molecular Weight457.62 g/mol
Exact Mass457.28
IUPAC Name6-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine
SMILESCCO[C@H]1Cc2ccccc2C1Nc1nc(C2CC2)c(-c2cnc(N(C)C)cc2C)nc1CC
InChIInChI=1S/C28H35N5O/c1-6-22-28(32-26-20-11-9-8-10-19(20)15-23(26)34-7-2)31-25(18-12-13-18)27(30-22)21-16-29-24(33(4)5)14-17(21)3/h8-11,14,16,18,23,26H,6-7,12-13,15H2,1-5H3,(H,31,32)/t23-,26?/m0/s1
InChIKeyBURZVGAQLWBGLZ-ZZHFZYNASA-N
XLogP5.47
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine?
The IUPAC name of 6-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine (CID 59083179) is 6-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine.
What is the SMILES notation for 6-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine?
The canonical SMILES for 6-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine is CCO[C@H]1Cc2ccccc2C1Nc1nc(C2CC2)c(-c2cnc(N(C)C)cc2C)nc1CC.
What is the InChIKey of 6-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine?
The InChIKey is BURZVGAQLWBGLZ-ZZHFZYNASA-N. The full InChI is InChI=1S/C28H35N5O/c1-6-22-28(32-26-20-11-9-8-10-19(20)15-23(26)34-7-2)31-25(18-12-13-18)27(30-22)21-16-29-24(33(4)5)14-17(21)3/h8-11,14,16,18,23,26H,6-7,12-13,15H2,1-5H3,(H,31,32)/t23-,26?/m0/s1.
What are the key properties of 6-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine?
6-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine has a molecular weight of 457.62 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine is sourced from PubChem (CID 59083179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).