5-[[(2S)-1-amino-3-methoxypropan-2-yl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide

C17H20N6O2 — CID 118368196

IUPAC5-[[(2S)-1-amino-3-methoxypropan-2-yl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
SMILESCOC[C@H](CN)Nc1cnc(C(N)=O)c(-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C17H20N6O2/c1-25-9-11(7-18)21-14-8-20-16(17(19)24)15(23-14)13-6-10-4-2-3-5-12(10)22-13/h2-6,8,11,22H,7,9,18H2,1H3,(H2,19,24)(H,21,23)/t11-/m0/s1
InChIKeyRFYZDDFAMFHSIE-NSHDSACASA-N
MW340.39 g/mol
LogP1.11
Rot. Bonds7

About 5-[[(2S)-1-amino-3-methoxypropan-2-yl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide

5-[[(2S)-1-amino-3-methoxypropan-2-yl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide (PubChem CID 118368196) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 5-[[(2S)-1-amino-3-methoxypropan-2-yl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[(2S)-1-amino-3-methoxypropan-2-yl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
PubChem CID118368196
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name5-[[(2S)-1-amino-3-methoxypropan-2-yl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
SMILESCOC[C@H](CN)Nc1cnc(C(N)=O)c(-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C17H20N6O2/c1-25-9-11(7-18)21-14-8-20-16(17(19)24)15(23-14)13-6-10-4-2-3-5-12(10)22-13/h2-6,8,11,22H,7,9,18H2,1H3,(H2,19,24)(H,21,23)/t11-/m0/s1
InChIKeyRFYZDDFAMFHSIE-NSHDSACASA-N
XLogP1.11
TPSA131.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-1-amino-3-methoxypropan-2-yl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[[(2S)-1-amino-3-methoxypropan-2-yl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide (CID 118368196) is 5-[[(2S)-1-amino-3-methoxypropan-2-yl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[(2S)-1-amino-3-methoxypropan-2-yl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[[(2S)-1-amino-3-methoxypropan-2-yl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide is COC[C@H](CN)Nc1cnc(C(N)=O)c(-c2cc3ccccc3[nH]2)n1.
What is the InChIKey of 5-[[(2S)-1-amino-3-methoxypropan-2-yl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide?
The InChIKey is RFYZDDFAMFHSIE-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N6O2/c1-25-9-11(7-18)21-14-8-20-16(17(19)24)15(23-14)13-6-10-4-2-3-5-12(10)22-13/h2-6,8,11,22H,7,9,18H2,1H3,(H2,19,24)(H,21,23)/t11-/m0/s1.
What are the key properties of 5-[[(2S)-1-amino-3-methoxypropan-2-yl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide?
5-[[(2S)-1-amino-3-methoxypropan-2-yl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.11, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-1-amino-3-methoxypropan-2-yl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 118368196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).