N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide

C21H29N5O2 — CID 118780334

IUPACN-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
SMILESCCCCN1CCn2nc(CNC(=O)c3c(C)[nH]c4c3C(=O)CCC4)cc2C1
InChIInChI=1S/C21H29N5O2/c1-3-4-8-25-9-10-26-16(13-25)11-15(24-26)12-22-21(28)19-14(2)23-17-6-5-7-18(27)20(17)19/h11,23H,3-10,12-13H2,1-2H3,(H,22,28)
InChIKeyKGHIFNSJMIFOCB-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.58
Rot. Bonds6

About N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide

N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide (PubChem CID 118780334) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
PubChem CID118780334
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
SMILESCCCCN1CCn2nc(CNC(=O)c3c(C)[nH]c4c3C(=O)CCC4)cc2C1
InChIInChI=1S/C21H29N5O2/c1-3-4-8-25-9-10-26-16(13-25)11-15(24-26)12-22-21(28)19-14(2)23-17-6-5-7-18(27)20(17)19/h11,23H,3-10,12-13H2,1-2H3,(H,22,28)
InChIKeyKGHIFNSJMIFOCB-UHFFFAOYSA-N
XLogP2.58
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 72870176
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 118786259
(2S)-N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 121496666
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 118767939
3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea
CID 118778801
methyl 2-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 118780767
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 118771310
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1H-imidazol-2-yl)benzamide
CID 118795304
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 118790526
N-[[5-(3-cyclopentylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 70766531
2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 70766629
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide
CID 118784917

Frequently Asked Questions

What is the IUPAC name of N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The IUPAC name of N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide (CID 118780334) is N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide.
What is the SMILES notation for N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The canonical SMILES for N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide is CCCCN1CCn2nc(CNC(=O)c3c(C)[nH]c4c3C(=O)CCC4)cc2C1.
What is the InChIKey of N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The InChIKey is KGHIFNSJMIFOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-3-4-8-25-9-10-26-16(13-25)11-15(24-26)12-22-21(28)19-14(2)23-17-6-5-7-18(27)20(17)19/h11,23H,3-10,12-13H2,1-2H3,(H,22,28).
What are the key properties of N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 118780334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).