4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide

C26H34N6O2 — CID 46349733

IUPAC4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide
SMILESCn1cc(-c2cc3n(n2)CCC(=O)N3CCCC(=O)NCCCN2CCCC2)c2ccccc21
InChIInChI=1S/C26H34N6O2/c1-29-19-21(20-8-2-3-9-23(20)29)22-18-25-31(26(34)11-17-32(25)28-22)16-6-10-24(33)27-12-7-15-30-13-4-5-14-30/h2-3,8-9,18-19H,4-7,10-17H2,1H3,(H,27,33)
InChIKeyQVYOXDLTTIEETR-UHFFFAOYSA-N
MW462.60 g/mol
LogP3.16
Rot. Bonds9

About 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide

4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide (PubChem CID 46349733) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide
PubChem CID46349733
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide
SMILESCn1cc(-c2cc3n(n2)CCC(=O)N3CCCC(=O)NCCCN2CCCC2)c2ccccc21
InChIInChI=1S/C26H34N6O2/c1-29-19-21(20-8-2-3-9-23(20)29)22-18-25-31(26(34)11-17-32(25)28-22)16-6-10-24(33)27-12-7-15-30-13-4-5-14-30/h2-3,8-9,18-19H,4-7,10-17H2,1H3,(H,27,33)
InChIKeyQVYOXDLTTIEETR-UHFFFAOYSA-N
XLogP3.16
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 46349719
N-methyl-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 46349694
4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide
CID 46282518
4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20966025
2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46349644
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 46349643
N-[2-(cyclohexen-1-yl)ethyl]-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide
CID 46349558
N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928985
N-cyclopropyl-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide
CID 46349553
N-(3-methylbutyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928939
N-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928946
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(3-piperidin-1-ylpropyl)butanamide
CID 9049016

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide?
The IUPAC name of 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide (CID 46349733) is 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide.
What is the SMILES notation for 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide?
The canonical SMILES for 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide is Cn1cc(-c2cc3n(n2)CCC(=O)N3CCCC(=O)NCCCN2CCCC2)c2ccccc21.
What is the InChIKey of 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide?
The InChIKey is QVYOXDLTTIEETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-29-19-21(20-8-2-3-9-23(20)29)22-18-25-31(26(34)11-17-32(25)28-22)16-6-10-24(33)27-12-7-15-30-13-4-5-14-30/h2-3,8-9,18-19H,4-7,10-17H2,1H3,(H,27,33).
What are the key properties of 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide?
4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide has a molecular weight of 462.60 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide is sourced from PubChem (CID 46349733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).