(2R)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-5H-cyclopenta[b]pyrazin-7-yl]butan-1-ol

C23H32N4O — CID 71157699

IUPAC(2R)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-5H-cyclopenta[b]pyrazin-7-yl]butan-1-ol
SMILESCCc1nc2c(nc1-c1ccc(C(C)C)nc1NC)C(C)C=C2[C@@H](CC)CO
InChIInChI=1S/C23H32N4O/c1-7-15(12-28)17-11-14(5)20-22(17)25-18(8-2)21(27-20)16-9-10-19(13(3)4)26-23(16)24-6/h9-11,13-15,28H,7-8,12H2,1-6H3,(H,24,26)/t14?,15-/m0/s1
InChIKeyZZYYCYATFDZTEN-LOACHALJSA-N
MW380.54 g/mol
LogP4.79
Rot. Bonds7

About (2R)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-5H-cyclopenta[b]pyrazin-7-yl]butan-1-ol

(2R)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-5H-cyclopenta[b]pyrazin-7-yl]butan-1-ol (PubChem CID 71157699) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is (2R)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-5H-cyclopenta[b]pyrazin-7-yl]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-5H-cyclopenta[b]pyrazin-7-yl]butan-1-ol
PubChem CID71157699
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name(2R)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-5H-cyclopenta[b]pyrazin-7-yl]butan-1-ol
SMILESCCc1nc2c(nc1-c1ccc(C(C)C)nc1NC)C(C)C=C2[C@@H](CC)CO
InChIInChI=1S/C23H32N4O/c1-7-15(12-28)17-11-14(5)20-22(17)25-18(8-2)21(27-20)16-9-10-19(13(3)4)26-23(16)24-6/h9-11,13-15,28H,7-8,12H2,1-6H3,(H,24,26)/t14?,15-/m0/s1
InChIKeyZZYYCYATFDZTEN-LOACHALJSA-N
XLogP4.79
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-5H-cyclopenta[b]pyrazin-7-yl]butan-1-ol?
The IUPAC name of (2R)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-5H-cyclopenta[b]pyrazin-7-yl]butan-1-ol (CID 71157699) is (2R)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-5H-cyclopenta[b]pyrazin-7-yl]butan-1-ol.
What is the SMILES notation for (2R)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-5H-cyclopenta[b]pyrazin-7-yl]butan-1-ol?
The canonical SMILES for (2R)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-5H-cyclopenta[b]pyrazin-7-yl]butan-1-ol is CCc1nc2c(nc1-c1ccc(C(C)C)nc1NC)C(C)C=C2[C@@H](CC)CO.
What is the InChIKey of (2R)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-5H-cyclopenta[b]pyrazin-7-yl]butan-1-ol?
The InChIKey is ZZYYCYATFDZTEN-LOACHALJSA-N. The full InChI is InChI=1S/C23H32N4O/c1-7-15(12-28)17-11-14(5)20-22(17)25-18(8-2)21(27-20)16-9-10-19(13(3)4)26-23(16)24-6/h9-11,13-15,28H,7-8,12H2,1-6H3,(H,24,26)/t14?,15-/m0/s1.
What are the key properties of (2R)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-5H-cyclopenta[b]pyrazin-7-yl]butan-1-ol?
(2R)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-5H-cyclopenta[b]pyrazin-7-yl]butan-1-ol has a molecular weight of 380.54 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-5H-cyclopenta[b]pyrazin-7-yl]butan-1-ol is sourced from PubChem (CID 71157699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).