2-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C15H20N4O — CID 54673422

IUPAC2-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)[C@H](C)NC(=O)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C15H20N4O/c1-8(2)9(3)18-15(20)11-6-16-14-13(11)19-12(7-17-14)10-4-5-10/h6-10H,4-5H2,1-3H3,(H,16,17)(H,18,20)/t9-/m0/s1
InChIKeyNFTVSOUVOHMGDQ-VIFPVBQESA-N
MW272.35 g/mol
LogP2.61
Rot. Bonds4

About 2-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 54673422) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID54673422
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)[C@H](C)NC(=O)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C15H20N4O/c1-8(2)9(3)18-15(20)11-6-16-14-13(11)19-12(7-17-14)10-4-5-10/h6-10H,4-5H2,1-3H3,(H,16,17)(H,18,20)/t9-/m0/s1
InChIKeyNFTVSOUVOHMGDQ-VIFPVBQESA-N
XLogP2.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 54673422) is 2-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)[C@H](C)NC(=O)c1c[nH]c2ncc(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is NFTVSOUVOHMGDQ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H20N4O/c1-8(2)9(3)18-15(20)11-6-16-14-13(11)19-12(7-17-14)10-4-5-10/h6-10H,4-5H2,1-3H3,(H,16,17)(H,18,20)/t9-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 54673422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).