N-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide

C19H21N5O2 — CID 124814867

IUPACN-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
SMILESCNC(=O)C[C@H]1CN(C(=O)c2cn(C)c3ccccc23)Cc2ccnn21
InChIInChI=1S/C19H21N5O2/c1-20-18(25)9-14-11-23(10-13-7-8-21-24(13)14)19(26)16-12-22(2)17-6-4-3-5-15(16)17/h3-8,12,14H,9-11H2,1-2H3,(H,20,25)/t14-/m0/s1
InChIKeyYAAGXENESFASQZ-AWEZNQCLSA-N
MW351.41 g/mol
LogP1.71
Rot. Bonds3

About N-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide

N-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide (PubChem CID 124814867) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
PubChem CID124814867
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
SMILESCNC(=O)C[C@H]1CN(C(=O)c2cn(C)c3ccccc23)Cc2ccnn21
InChIInChI=1S/C19H21N5O2/c1-20-18(25)9-14-11-23(10-13-7-8-21-24(13)14)19(26)16-12-22(2)17-6-4-3-5-15(16)17/h3-8,12,14H,9-11H2,1-2H3,(H,20,25)/t14-/m0/s1
InChIKeyYAAGXENESFASQZ-AWEZNQCLSA-N
XLogP1.71
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide
CID 131693779
[(5S)-5-[2-(dimethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(1-methylindol-3-yl)methanone
CID 124813104
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
(1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone
CID 67619877
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
N-methyl-2-[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 171694951
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 166081487
N-methyl-2-[5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155860747
4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
CID 110762463
2-cyclopentyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]acetamide
CID 126792582
2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 155860751

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide?
The IUPAC name of N-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide (CID 124814867) is N-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide?
The canonical SMILES for N-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide is CNC(=O)C[C@H]1CN(C(=O)c2cn(C)c3ccccc23)Cc2ccnn21.
What is the InChIKey of N-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide?
The InChIKey is YAAGXENESFASQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-20-18(25)9-14-11-23(10-13-7-8-21-24(13)14)19(26)16-12-22(2)17-6-4-3-5-15(16)17/h3-8,12,14H,9-11H2,1-2H3,(H,20,25)/t14-/m0/s1.
What are the key properties of N-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide?
N-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide is sourced from PubChem (CID 124814867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).