5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide

C19H22N6O3 — CID 123886050

IUPAC5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide
SMILESCOc1cccc2[nH]c(-c3nc(NC4CCOCC4N)cnc3C(N)=O)cc12
InChIInChI=1S/C19H22N6O3/c1-27-15-4-2-3-12-10(15)7-14(23-12)17-18(19(21)26)22-8-16(25-17)24-13-5-6-28-9-11(13)20/h2-4,7-8,11,13,23H,5-6,9,20H2,1H3,(H2,21,26)(H,24,25)
InChIKeyHVQAATXUCFUOMV-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.26
Rot. Bonds5

About 5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide

5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide (PubChem CID 123886050) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide
PubChem CID123886050
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide
SMILESCOc1cccc2[nH]c(-c3nc(NC4CCOCC4N)cnc3C(N)=O)cc12
InChIInChI=1S/C19H22N6O3/c1-27-15-4-2-3-12-10(15)7-14(23-12)17-18(19(21)26)22-8-16(25-17)24-13-5-6-28-9-11(13)20/h2-4,7-8,11,13,23H,5-6,9,20H2,1H3,(H2,21,26)(H,24,25)
InChIKeyHVQAATXUCFUOMV-UHFFFAOYSA-N
XLogP1.26
TPSA141.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(5-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide
CID 118368155
4-N-[6-(4-chloro-1H-indol-2-yl)-5-nitrosopyrazin-2-yl]oxane-3,4-diamine
CID 138548655
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
CID 102532139
5-[(2-aminocyclohexyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
CID 123772470
5-[[(3S,4S)-4-amino-1,1-dioxothian-3-yl]amino]-3-(3-chloro-1H-indol-2-yl)pyrazine-2-carboxamide
CID 118372953
3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide
CID 123176707
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 71626818
[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone
CID 136587475
5-[(2-aminocyclohexyl)amino]-3-[3-(dimethylcarbamoyl)-4-methoxyanilino]pyrazine-2-carboxamide
CID 123482822
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
5-(4-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid
CID 136986503
3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 136985700

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide (CID 123886050) is 5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide is COc1cccc2[nH]c(-c3nc(NC4CCOCC4N)cnc3C(N)=O)cc12.
What is the InChIKey of 5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide?
The InChIKey is HVQAATXUCFUOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-27-15-4-2-3-12-10(15)7-14(23-12)17-18(19(21)26)22-8-16(25-17)24-13-5-6-28-9-11(13)20/h2-4,7-8,11,13,23H,5-6,9,20H2,1H3,(H2,21,26)(H,24,25).
What are the key properties of 5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide?
5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 1.26, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 123886050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).