5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide

C20H22N8O — CID 118368222

IUPAC5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide
SMILESCC(N)CNc1cnc(C(N)=O)c(-c2cc3cc(-c4cnn(C)c4)ccc3[nH]2)n1
InChIInChI=1S/C20H22N8O/c1-11(21)7-23-17-9-24-19(20(22)29)18(27-17)16-6-13-5-12(3-4-15(13)26-16)14-8-25-28(2)10-14/h3-6,8-11,26H,7,21H2,1-2H3,(H2,22,29)(H,23,27)
InChIKeyCOIMAIWQOHMCIL-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.88
Rot. Bonds6

About 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide

5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide (PubChem CID 118368222) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide
PubChem CID118368222
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide
SMILESCC(N)CNc1cnc(C(N)=O)c(-c2cc3cc(-c4cnn(C)c4)ccc3[nH]2)n1
InChIInChI=1S/C20H22N8O/c1-11(21)7-23-17-9-24-19(20(22)29)18(27-17)16-6-13-5-12(3-4-15(13)26-16)14-8-25-28(2)10-14/h3-6,8-11,26H,7,21H2,1-2H3,(H2,22,29)(H,23,27)
InChIKeyCOIMAIWQOHMCIL-UHFFFAOYSA-N
XLogP1.88
TPSA140.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide (CID 118368222) is 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide is CC(N)CNc1cnc(C(N)=O)c(-c2cc3cc(-c4cnn(C)c4)ccc3[nH]2)n1.
What is the InChIKey of 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide?
The InChIKey is COIMAIWQOHMCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-11(21)7-23-17-9-24-19(20(22)29)18(27-17)16-6-13-5-12(3-4-15(13)26-16)14-8-25-28(2)10-14/h3-6,8-11,26H,7,21H2,1-2H3,(H2,22,29)(H,23,27).
What are the key properties of 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide?
5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 1.88, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropylamino)-3-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 118368222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).