N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide

C20H23N5O4S — CID 156770531

IUPACN-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide
SMILESO=C(c1cc2ccccc2[nH]1)N1CCn2nc(NS(=O)(=O)C3CCOCC3)cc2C1
InChIInChI=1S/C20H23N5O4S/c26-20(18-11-14-3-1-2-4-17(14)21-18)24-7-8-25-15(13-24)12-19(22-25)23-30(27,28)16-5-9-29-10-6-16/h1-4,11-12,16,21H,5-10,13H2,(H,22,23)
InChIKeyCQJXDDPBTPUFGR-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.94
Rot. Bonds4

About N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide

N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide (PubChem CID 156770531) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide
PubChem CID156770531
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC NameN-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide
SMILESO=C(c1cc2ccccc2[nH]1)N1CCn2nc(NS(=O)(=O)C3CCOCC3)cc2C1
InChIInChI=1S/C20H23N5O4S/c26-20(18-11-14-3-1-2-4-17(14)21-18)24-7-8-25-15(13-24)12-19(22-25)23-30(27,28)16-5-9-29-10-6-16/h1-4,11-12,16,21H,5-10,13H2,(H,22,23)
InChIKeyCQJXDDPBTPUFGR-UHFFFAOYSA-N
XLogP1.94
TPSA109.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide with MolForge

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Related Compounds

1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 156770528
1H-indol-2-yl-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 156770486
[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
3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide
CID 156770540
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl-[2-(oxan-4-ylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 142576241
6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl(1H-indol-2-yl)methanone
CID 167813037
5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693001
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 110108358
1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 156773198
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide?
The IUPAC name of N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide (CID 156770531) is N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide.
What is the SMILES notation for N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide?
The canonical SMILES for N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide is O=C(c1cc2ccccc2[nH]1)N1CCn2nc(NS(=O)(=O)C3CCOCC3)cc2C1.
What is the InChIKey of N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide?
The InChIKey is CQJXDDPBTPUFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c26-20(18-11-14-3-1-2-4-17(14)21-18)24-7-8-25-15(13-24)12-19(22-25)23-30(27,28)16-5-9-29-10-6-16/h1-4,11-12,16,21H,5-10,13H2,(H,22,23).
What are the key properties of N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide?
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide has a molecular weight of 429.50 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide is sourced from PubChem (CID 156770531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).