5-[5-amino-6-[(2-amino-3-phenylpropyl)amino]pyrazin-2-yl]-1,3-dihydroindol-2-one

C21H22N6O — CID 68783610

IUPAC5-[5-amino-6-[(2-amino-3-phenylpropyl)amino]pyrazin-2-yl]-1,3-dihydroindol-2-one
SMILESNc1ncc(-c2ccc3c(c2)CC(=O)N3)nc1NCC(N)Cc1ccccc1
InChIInChI=1S/C21H22N6O/c22-16(8-13-4-2-1-3-5-13)11-25-21-20(23)24-12-18(27-21)14-6-7-17-15(9-14)10-19(28)26-17/h1-7,9,12,16H,8,10-11,22H2,(H2,23,24)(H,25,27)(H,26,28)
InChIKeyIDALZVDRIDQUEZ-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.20
Rot. Bonds6

About 5-[5-amino-6-[(2-amino-3-phenylpropyl)amino]pyrazin-2-yl]-1,3-dihydroindol-2-one

5-[5-amino-6-[(2-amino-3-phenylpropyl)amino]pyrazin-2-yl]-1,3-dihydroindol-2-one (PubChem CID 68783610) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 5-[5-amino-6-[(2-amino-3-phenylpropyl)amino]pyrazin-2-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[(2-amino-3-phenylpropyl)amino]pyrazin-2-yl]-1,3-dihydroindol-2-one
PubChem CID68783610
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name5-[5-amino-6-[(2-amino-3-phenylpropyl)amino]pyrazin-2-yl]-1,3-dihydroindol-2-one
SMILESNc1ncc(-c2ccc3c(c2)CC(=O)N3)nc1NCC(N)Cc1ccccc1
InChIInChI=1S/C21H22N6O/c22-16(8-13-4-2-1-3-5-13)11-25-21-20(23)24-12-18(27-21)14-6-7-17-15(9-14)10-19(28)26-17/h1-7,9,12,16H,8,10-11,22H2,(H2,23,24)(H,25,27)(H,26,28)
InChIKeyIDALZVDRIDQUEZ-UHFFFAOYSA-N
XLogP2.20
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[[2-amino-3-(4-hydroxyphenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 76571332
5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one
CID 67089543
5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 23654593
5-[2-[[2-amino-3-(3,4-difluorophenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 76571244
5-[5-[[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-1,2,4-thiadiazol-3-yl]-1,3-dihydroindol-2-one
CID 67062627
5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 76571251
5-[2-[[(2R)-2-amino-3-[3-hydroxy-4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 87657484
5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 74080228
5-[2-[[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 87647509
5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one
CID 61083581
6-[2-[[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 87647766
5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343328

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[(2-amino-3-phenylpropyl)amino]pyrazin-2-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[5-amino-6-[(2-amino-3-phenylpropyl)amino]pyrazin-2-yl]-1,3-dihydroindol-2-one (CID 68783610) is 5-[5-amino-6-[(2-amino-3-phenylpropyl)amino]pyrazin-2-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[5-amino-6-[(2-amino-3-phenylpropyl)amino]pyrazin-2-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[5-amino-6-[(2-amino-3-phenylpropyl)amino]pyrazin-2-yl]-1,3-dihydroindol-2-one is Nc1ncc(-c2ccc3c(c2)CC(=O)N3)nc1NCC(N)Cc1ccccc1.
What is the InChIKey of 5-[5-amino-6-[(2-amino-3-phenylpropyl)amino]pyrazin-2-yl]-1,3-dihydroindol-2-one?
The InChIKey is IDALZVDRIDQUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c22-16(8-13-4-2-1-3-5-13)11-25-21-20(23)24-12-18(27-21)14-6-7-17-15(9-14)10-19(28)26-17/h1-7,9,12,16H,8,10-11,22H2,(H2,23,24)(H,25,27)(H,26,28).
What are the key properties of 5-[5-amino-6-[(2-amino-3-phenylpropyl)amino]pyrazin-2-yl]-1,3-dihydroindol-2-one?
5-[5-amino-6-[(2-amino-3-phenylpropyl)amino]pyrazin-2-yl]-1,3-dihydroindol-2-one has a molecular weight of 374.45 g/mol, XLogP of 2.20, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[(2-amino-3-phenylpropyl)amino]pyrazin-2-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 68783610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).