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

C20H19N5O3 — CID 34907563

IUPACN-benzyl-N-(furan-2-ylmethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCn1ncc2c(=O)n(CC(=O)N(Cc3ccccc3)Cc3ccco3)cnc21
InChIInChI=1S/C20H19N5O3/c1-23-19-17(10-22-23)20(27)25(14-21-19)13-18(26)24(12-16-8-5-9-28-16)11-15-6-3-2-4-7-15/h2-10,14H,11-13H2,1H3
InChIKeyVFFDULXGTQSGHQ-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.95
Rot. Bonds6

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

N-benzyl-N-(furan-2-ylmethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 34907563) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID34907563
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCn1ncc2c(=O)n(CC(=O)N(Cc3ccccc3)Cc3ccco3)cnc21
InChIInChI=1S/C20H19N5O3/c1-23-19-17(10-22-23)20(27)25(14-21-19)13-18(26)24(12-16-8-5-9-28-16)11-15-6-3-2-4-7-15/h2-10,14H,11-13H2,1H3
InChIKeyVFFDULXGTQSGHQ-UHFFFAOYSA-N
XLogP1.95
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 38701595
N-benzyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 37428295
N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide
CID 27559502
N-benzyl-N-cyclopropyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 38253550
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 51288185
N-ethyl-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 134063303
5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62567120
N-benzyl-N-(furan-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17448524
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide
CID 51202548
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 26067761
N-ethyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-naphthalen-1-ylacetamide
CID 27559371
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 33414342

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 34907563) is N-benzyl-N-(furan-2-ylmethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is Cn1ncc2c(=O)n(CC(=O)N(Cc3ccccc3)Cc3ccco3)cnc21.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is VFFDULXGTQSGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-23-19-17(10-22-23)20(27)25(14-21-19)13-18(26)24(12-16-8-5-9-28-16)11-15-6-3-2-4-7-15/h2-10,14H,11-13H2,1H3.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-benzyl-N-(furan-2-ylmethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 377.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 34907563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).