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

C19H23N5O2 — CID 137270653

IUPAC1-tert-butyl-6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cccc2c1CCC2Nc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C19H23N5O2/c1-19(2,3)24-16-13(10-20-24)17(25)23-18(22-16)21-14-9-8-12-11(14)6-5-7-15(12)26-4/h5-7,10,14H,8-9H2,1-4H3,(H2,21,22,23,25)
InChIKeyXJUDBAQDEOWGSD-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.98
Rot. Bonds3

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

1-tert-butyl-6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137270653) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-tert-butyl-6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137270653
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-tert-butyl-6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cccc2c1CCC2Nc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C19H23N5O2/c1-19(2,3)24-16-13(10-20-24)17(25)23-18(22-16)21-14-9-8-12-11(14)6-5-7-15(12)26-4/h5-7,10,14H,8-9H2,1-4H3,(H2,21,22,23,25)
InChIKeyXJUDBAQDEOWGSD-UHFFFAOYSA-N
XLogP2.98
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137270652
1-tert-butyl-6-[2-(2-methoxyphenyl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261684
1-tert-butyl-6-[(3,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264574
1-tert-butyl-6-[(4-ethoxy-3-methoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261097
1-tert-butyl-6-[(4-methylcycloheptyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137267771
1-tert-butyl-6-[(1-propan-2-ylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260834
1-tert-butyl-6-[[(1S)-cyclohex-2-en-1-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136706869
1-tert-butyl-6-[(4-methoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260750
1-tert-butyl-6-[2-(4-methoxyphenoxy)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260867
1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275173
1-tert-butyl-6-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261105
2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide
CID 137262172

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137270653) is 1-tert-butyl-6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1cccc2c1CCC2Nc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1.
What is the InChIKey of 1-tert-butyl-6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XJUDBAQDEOWGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-19(2,3)24-16-13(10-20-24)17(25)23-18(22-16)21-14-9-8-12-11(14)6-5-7-15(12)26-4/h5-7,10,14H,8-9H2,1-4H3,(H2,21,22,23,25).
What are the key properties of 1-tert-butyl-6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 353.43 g/mol, XLogP of 2.98, 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-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137270653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).