N-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide

C19H17N5O3 — CID 646968

IUPACN-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESCc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1
InChIInChI=1S/C19H17N5O3/c1-13-4-6-14(7-5-13)24-18-16(10-22-24)19(26)23(12-21-18)11-17(25)20-9-15-3-2-8-27-15/h2-8,10,12H,9,11H2,1H3,(H,20,25)
InChIKeyMAMOWEZJJOSHHT-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.80
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide

N-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide (PubChem CID 646968) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
PubChem CID646968
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESCc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1
InChIInChI=1S/C19H17N5O3/c1-13-4-6-14(7-5-13)24-18-16(10-22-24)19(26)23(12-21-18)11-17(25)20-9-15-3-2-8-27-15/h2-8,10,12H,9,11H2,1H3,(H,20,25)
InChIKeyMAMOWEZJJOSHHT-UHFFFAOYSA-N
XLogP1.80
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide (CID 646968) is N-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide is Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
The InChIKey is MAMOWEZJJOSHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-13-4-6-14(7-5-13)24-18-16(10-22-24)19(26)23(12-21-18)11-17(25)20-9-15-3-2-8-27-15/h2-8,10,12H,9,11H2,1H3,(H,20,25).
What are the key properties of N-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
N-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide has a molecular weight of 363.38 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 646968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).