(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamate

C15H20N4O3 — CID 67371385

IUPAC(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamate
SMILESC[C@H](NC(=O)Oc1c[nH]c2ncc(C3CC3)nc12)C(C)(C)O
InChIInChI=1S/C15H20N4O3/c1-8(15(2,3)21)18-14(20)22-11-7-17-13-12(11)19-10(6-16-13)9-4-5-9/h6-9,21H,4-5H2,1-3H3,(H,16,17)(H,18,20)/t8-/m0/s1
InChIKeyFVUQRLAJQYBLNX-QMMMGPOBSA-N
MW304.35 g/mol
LogP2.08
Rot. Bonds4

About (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamate

(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamate (PubChem CID 67371385) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Name(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamate
PubChem CID67371385
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamate
SMILESC[C@H](NC(=O)Oc1c[nH]c2ncc(C3CC3)nc12)C(C)(C)O
InChIInChI=1S/C15H20N4O3/c1-8(15(2,3)21)18-14(20)22-11-7-17-13-12(11)19-10(6-16-13)9-4-5-9/h6-9,21H,4-5H2,1-3H3,(H,16,17)(H,18,20)/t8-/m0/s1
InChIKeyFVUQRLAJQYBLNX-QMMMGPOBSA-N
XLogP2.08
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamate?
The IUPAC name of (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamate (CID 67371385) is (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamate?
The canonical SMILES for (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamate is C[C@H](NC(=O)Oc1c[nH]c2ncc(C3CC3)nc12)C(C)(C)O.
What is the InChIKey of (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamate?
The InChIKey is FVUQRLAJQYBLNX-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-8(15(2,3)21)18-14(20)22-11-7-17-13-12(11)19-10(6-16-13)9-4-5-9/h6-9,21H,4-5H2,1-3H3,(H,16,17)(H,18,20)/t8-/m0/s1.
What are the key properties of (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamate?
(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamate has a molecular weight of 304.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 67371385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).