1-tert-butyl-6-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H22N6O2 — CID 137261660

IUPAC1-tert-butyl-6-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)[nH]c(NCC(=O)N3CCc4ccccc43)nc21
InChIInChI=1S/C19H22N6O2/c1-19(2,3)25-16-13(10-21-25)17(27)23-18(22-16)20-11-15(26)24-9-8-12-6-4-5-7-14(12)24/h4-7,10H,8-9,11H2,1-3H3,(H2,20,22,23,27)
InChIKeyFGOPJCDXLRYREK-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.88
Rot. Bonds3

About 1-tert-butyl-6-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137261660) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-tert-butyl-6-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137261660
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-tert-butyl-6-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)[nH]c(NCC(=O)N3CCc4ccccc43)nc21
InChIInChI=1S/C19H22N6O2/c1-19(2,3)25-16-13(10-21-25)17(27)23-18(22-16)20-11-15(26)24-9-8-12-6-4-5-7-14(12)24/h4-7,10H,8-9,11H2,1-3H3,(H2,20,22,23,27)
InChIKeyFGOPJCDXLRYREK-UHFFFAOYSA-N
XLogP1.88
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide
CID 137260856
1-tert-butyl-6-[(2,2-difluoro-2-phenylethyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167780240
2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide
CID 137262172
1-tert-butyl-6-[(4-ethylphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261527
1-tert-butyl-6-(2-phenylsulfanylpropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275533
1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone
CID 133469730
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330
1-tert-butyl-6-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137249009
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135500472
1-tert-butyl-6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261300
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
1-tert-butyl-6-[4-(2-phenylacetyl)piperazin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261139

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137261660) is 1-tert-butyl-6-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)n1ncc2c(=O)[nH]c(NCC(=O)N3CCc4ccccc43)nc21.
What is the InChIKey of 1-tert-butyl-6-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FGOPJCDXLRYREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-19(2,3)25-16-13(10-21-25)17(27)23-18(22-16)20-11-15(26)24-9-8-12-6-4-5-7-14(12)24/h4-7,10H,8-9,11H2,1-3H3,(H2,20,22,23,27).
What are the key properties of 1-tert-butyl-6-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 366.43 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137261660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).