2-[[6-ethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-prop-1-en-2-ylpyrazin-2-yl]amino]butan-1-ol

C22H33N5O — CID 143580327

IUPAC2-[[6-ethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-prop-1-en-2-ylpyrazin-2-yl]amino]butan-1-ol
SMILESC=C(C)c1nc(-c2ccc(C(C)C)nc2NC)c(CC)nc1NC(CC)CO
InChIInChI=1S/C22H33N5O/c1-8-15(12-28)24-22-19(14(5)6)27-20(17(9-2)25-22)16-10-11-18(13(3)4)26-21(16)23-7/h10-11,13,15,28H,5,8-9,12H2,1-4,6-7H3,(H,23,26)(H,24,25)
InChIKeyZNEXJNRPTPRZTR-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.48
Rot. Bonds9

About 2-[[6-ethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-prop-1-en-2-ylpyrazin-2-yl]amino]butan-1-ol

2-[[6-ethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-prop-1-en-2-ylpyrazin-2-yl]amino]butan-1-ol (PubChem CID 143580327) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-[[6-ethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-prop-1-en-2-ylpyrazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[6-ethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-prop-1-en-2-ylpyrazin-2-yl]amino]butan-1-ol
PubChem CID143580327
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name2-[[6-ethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-prop-1-en-2-ylpyrazin-2-yl]amino]butan-1-ol
SMILESC=C(C)c1nc(-c2ccc(C(C)C)nc2NC)c(CC)nc1NC(CC)CO
InChIInChI=1S/C22H33N5O/c1-8-15(12-28)24-22-19(14(5)6)27-20(17(9-2)25-22)16-10-11-18(13(3)4)26-21(16)23-7/h10-11,13,15,28H,5,8-9,12H2,1-4,6-7H3,(H,23,26)(H,24,25)
InChIKeyZNEXJNRPTPRZTR-UHFFFAOYSA-N
XLogP4.48
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[6-ethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-prop-1-en-2-ylpyrazin-2-yl]amino]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine
CID 58804525
5-[2-(dimethylamino)-6-propan-2-yl-3-pyridinyl]-3-ethanimidoyl-6-ethyl-N-pentan-3-ylpyrazin-2-amine
CID 143020016
N,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine;methanol;propane
CID 143580324
(2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol
CID 24788523
(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
N,5-dimethyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-propan-2-yl-2-prop-1-en-2-ylpyridin-3-amine
CID 143580268
(2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-ol
CID 69405635
N-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine
CID 143580209
3-(7-ethyl-2,5,6-trimethylpyrrolo[2,3-b]pyrazin-3-yl)-N-methyl-6-propan-2-ylpyridin-2-amine
CID 143015005
(Z,3S)-3-ethyl-4-[5-ethyl-2-methyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-pyridinyl]hex-4-en-1-ol
CID 71157814
5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-2-N-methyl-3-N-pentan-3-ylpyrazine-2,3-diamine
CID 10386972
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol
CID 103867388

Frequently Asked Questions

What is the IUPAC name of 2-[[6-ethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-prop-1-en-2-ylpyrazin-2-yl]amino]butan-1-ol?
The IUPAC name of 2-[[6-ethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-prop-1-en-2-ylpyrazin-2-yl]amino]butan-1-ol (CID 143580327) is 2-[[6-ethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-prop-1-en-2-ylpyrazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[6-ethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-prop-1-en-2-ylpyrazin-2-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[6-ethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-prop-1-en-2-ylpyrazin-2-yl]amino]butan-1-ol is C=C(C)c1nc(-c2ccc(C(C)C)nc2NC)c(CC)nc1NC(CC)CO.
What is the InChIKey of 2-[[6-ethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-prop-1-en-2-ylpyrazin-2-yl]amino]butan-1-ol?
The InChIKey is ZNEXJNRPTPRZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-8-15(12-28)24-22-19(14(5)6)27-20(17(9-2)25-22)16-10-11-18(13(3)4)26-21(16)23-7/h10-11,13,15,28H,5,8-9,12H2,1-4,6-7H3,(H,23,26)(H,24,25).
What are the key properties of 2-[[6-ethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-prop-1-en-2-ylpyrazin-2-yl]amino]butan-1-ol?
2-[[6-ethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-prop-1-en-2-ylpyrazin-2-yl]amino]butan-1-ol has a molecular weight of 383.54 g/mol, XLogP of 4.48, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-ethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-prop-1-en-2-ylpyrazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 143580327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).