N-(furan-2-ylmethyl)-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide

C22H21N5O3 — CID 46349659

IUPACN-(furan-2-ylmethyl)-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)NCc2ccco2)c2ccccc21
InChIInChI=1S/C22H21N5O3/c1-25-13-17(16-6-2-3-7-19(16)25)18-11-21-26(22(29)8-9-27(21)24-18)14-20(28)23-12-15-5-4-10-30-15/h2-7,10-11,13H,8-9,12,14H2,1H3,(H,23,28)
InChIKeyIQIAXACQDQEXQH-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.69
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide

N-(furan-2-ylmethyl)-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide (PubChem CID 46349659) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
PubChem CID46349659
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-(furan-2-ylmethyl)-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)NCc2ccco2)c2ccccc21
InChIInChI=1S/C22H21N5O3/c1-25-13-17(16-6-2-3-7-19(16)25)18-11-21-26(22(29)8-9-27(21)24-18)14-20(28)23-12-15-5-4-10-30-15/h2-7,10-11,13H,8-9,12,14H2,1H3,(H,23,28)
InChIKeyIQIAXACQDQEXQH-UHFFFAOYSA-N
XLogP2.69
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide (CID 46349659) is N-(furan-2-ylmethyl)-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide is Cn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)NCc2ccco2)c2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The InChIKey is IQIAXACQDQEXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-25-13-17(16-6-2-3-7-19(16)25)18-11-21-26(22(29)8-9-27(21)24-18)14-20(28)23-12-15-5-4-10-30-15/h2-7,10-11,13H,8-9,12,14H2,1H3,(H,23,28).
What are the key properties of N-(furan-2-ylmethyl)-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide?
N-(furan-2-ylmethyl)-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide has a molecular weight of 403.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 46349659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).