5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine

C21H22N6O — CID 172839638

IUPAC5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(NCc3ccncc3)nc(/C=C/c3ccco3)nc12
InChIInChI=1S/C21H22N6O/c1-3-5-17-19-20(27(2)26-17)21(23-14-15-9-11-22-12-10-15)25-18(24-19)8-7-16-6-4-13-28-16/h4,6-13H,3,5,14H2,1-2H3,(H,23,24,25)/b8-7+
InChIKeyWPUFCFZSHZNHOU-BQYQJAHWSA-N
MW374.45 g/mol
LogP4.09
Rot. Bonds7

About 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine

5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 172839638) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID172839638
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(NCc3ccncc3)nc(/C=C/c3ccco3)nc12
InChIInChI=1S/C21H22N6O/c1-3-5-17-19-20(27(2)26-17)21(23-14-15-9-11-22-12-10-15)25-18(24-19)8-7-16-6-4-13-28-16/h4,6-13H,3,5,14H2,1-2H3,(H,23,24,25)/b8-7+
InChIKeyWPUFCFZSHZNHOU-BQYQJAHWSA-N
XLogP4.09
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 60531
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CID 10203891
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CID 21363905
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CID 220776
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CID 11545273
CID 11545273
CID 10125392
CID 10125392
CID 10150788
CID 10150788
CID 10192937
CID 10192937
CID 11164274
CID 11164274
CID 11381852
CID 11381852
CID 16225493
CID 16225493
CID 21874687
CID 21874687

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 172839638) is 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine is CCCc1nn(C)c2c(NCc3ccncc3)nc(/C=C/c3ccco3)nc12.
What is the InChIKey of 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is WPUFCFZSHZNHOU-BQYQJAHWSA-N. The full InChI is InChI=1S/C21H22N6O/c1-3-5-17-19-20(27(2)26-17)21(23-14-15-9-11-22-12-10-15)25-18(24-19)8-7-16-6-4-13-28-16/h4,6-13H,3,5,14H2,1-2H3,(H,23,24,25)/b8-7+.
What are the key properties of 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 374.45 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 172839638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).