5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide

C19H21N5O3 — CID 131693001

IUPAC5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCOCCNC(=O)C1CN(C(=O)c2cc3ccccc3[nH]2)Cc2ccnn21
InChIInChI=1S/C19H21N5O3/c1-27-9-8-20-18(25)17-12-23(11-14-6-7-21-24(14)17)19(26)16-10-13-4-2-3-5-15(13)22-16/h2-7,10,17,22H,8-9,11-12H2,1H3,(H,20,25)
InChIKeyNFTQLFRQDNZUSZ-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.32
Rot. Bonds5

About 5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide

5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (PubChem CID 131693001) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
PubChem CID131693001
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCOCCNC(=O)C1CN(C(=O)c2cc3ccccc3[nH]2)Cc2ccnn21
InChIInChI=1S/C19H21N5O3/c1-27-9-8-20-18(25)17-12-23(11-14-6-7-21-24(14)17)19(26)16-10-13-4-2-3-5-15(13)22-16/h2-7,10,17,22H,8-9,11-12H2,1H3,(H,20,25)
InChIKeyNFTQLFRQDNZUSZ-UHFFFAOYSA-N
XLogP1.32
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(1H-indol-4-ylmethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133141807
5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576721
1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 156770528
(3S,4S)-1-(1H-indole-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203515
[2-[(4-hydroxycyclohexyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone
CID 156903120
[2-[(3-hydroxy-2,2-dimethylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone
CID 156770527
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide
CID 156770531
1H-indol-2-yl-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 156770486
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide
CID 60712381
methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate
CID 42571173
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155826204
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone
CID 27515136

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (CID 131693001) is 5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is COCCNC(=O)C1CN(C(=O)c2cc3ccccc3[nH]2)Cc2ccnn21.
What is the InChIKey of 5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is NFTQLFRQDNZUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-27-9-8-20-18(25)17-12-23(11-14-6-7-21-24(14)17)19(26)16-10-13-4-2-3-5-15(13)22-16/h2-7,10,17,22H,8-9,11-12H2,1H3,(H,20,25).
What are the key properties of 5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 131693001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).