(3S)-2-methyl-3-[1-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethenylamino]butan-2-ol

C16H24N4O — CID 70673504

IUPAC(3S)-2-methyl-3-[1-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethenylamino]butan-2-ol
SMILESC=C(N[C@@H](C)C(C)(C)O)c1c[nH]c2ncc(C(C)C)nc12
InChIInChI=1S/C16H24N4O/c1-9(2)13-8-18-15-14(20-13)12(7-17-15)10(3)19-11(4)16(5,6)21/h7-9,11,19,21H,3H2,1-2,4-6H3,(H,17,18)/t11-/m0/s1
InChIKeyDMCVGWRCXBJUJS-NSHDSACASA-N
MW288.39 g/mol
LogP2.80
Rot. Bonds5

About (3S)-2-methyl-3-[1-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethenylamino]butan-2-ol

(3S)-2-methyl-3-[1-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethenylamino]butan-2-ol (PubChem CID 70673504) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (3S)-2-methyl-3-[1-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethenylamino]butan-2-ol.

Molecular Properties

Compound Name(3S)-2-methyl-3-[1-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethenylamino]butan-2-ol
PubChem CID70673504
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(3S)-2-methyl-3-[1-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethenylamino]butan-2-ol
SMILESC=C(N[C@@H](C)C(C)(C)O)c1c[nH]c2ncc(C(C)C)nc12
InChIInChI=1S/C16H24N4O/c1-9(2)13-8-18-15-14(20-13)12(7-17-15)10(3)19-11(4)16(5,6)21/h7-9,11,19,21H,3H2,1-2,4-6H3,(H,17,18)/t11-/m0/s1
InChIKeyDMCVGWRCXBJUJS-NSHDSACASA-N
XLogP2.80
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-2-methyl-3-[1-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethenylamino]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-3-[1-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethenylamino]butan-2-ol?
The IUPAC name of (3S)-2-methyl-3-[1-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethenylamino]butan-2-ol (CID 70673504) is (3S)-2-methyl-3-[1-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethenylamino]butan-2-ol.
What is the SMILES notation for (3S)-2-methyl-3-[1-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethenylamino]butan-2-ol?
The canonical SMILES for (3S)-2-methyl-3-[1-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethenylamino]butan-2-ol is C=C(N[C@@H](C)C(C)(C)O)c1c[nH]c2ncc(C(C)C)nc12.
What is the InChIKey of (3S)-2-methyl-3-[1-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethenylamino]butan-2-ol?
The InChIKey is DMCVGWRCXBJUJS-NSHDSACASA-N. The full InChI is InChI=1S/C16H24N4O/c1-9(2)13-8-18-15-14(20-13)12(7-17-15)10(3)19-11(4)16(5,6)21/h7-9,11,19,21H,3H2,1-2,4-6H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (3S)-2-methyl-3-[1-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethenylamino]butan-2-ol?
(3S)-2-methyl-3-[1-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethenylamino]butan-2-ol has a molecular weight of 288.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-3-[1-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethenylamino]butan-2-ol is sourced from PubChem (CID 70673504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).