N-[5-(4,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-2-yl]cyclopropanesulfonamide

C18H29F2N5O3S — CID 164704895

IUPACN-[5-(4,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-2-yl]cyclopropanesulfonamide
SMILESO=C(C1CC2C(F)CC(F)CC2N1)N1CCN2NC(NS(=O)(=O)C3CC3)CC2C1
InChIInChI=1S/C18H29F2N5O3S/c19-10-5-14(20)13-8-16(21-15(13)6-10)18(26)24-3-4-25-11(9-24)7-17(22-25)23-29(27,28)12-1-2-12/h10-17,21-23H,1-9H2
InChIKeyRCXOXAPBLLTHSC-UHFFFAOYSA-N
MW433.53 g/mol
LogP-0.37
Rot. Bonds4

About N-[5-(4,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-2-yl]cyclopropanesulfonamide

N-[5-(4,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-2-yl]cyclopropanesulfonamide (PubChem CID 164704895) has the molecular formula C18H29F2N5O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[5-(4,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-2-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-(4,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-2-yl]cyclopropanesulfonamide
PubChem CID164704895
Molecular FormulaC18H29F2N5O3S
Molecular Weight433.53 g/mol
Exact Mass433.20
IUPAC NameN-[5-(4,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-2-yl]cyclopropanesulfonamide
SMILESO=C(C1CC2C(F)CC(F)CC2N1)N1CCN2NC(NS(=O)(=O)C3CC3)CC2C1
InChIInChI=1S/C18H29F2N5O3S/c19-10-5-14(20)13-8-16(21-15(13)6-10)18(26)24-3-4-25-11(9-24)7-17(22-25)23-29(27,28)12-1-2-12/h10-17,21-23H,1-9H2
InChIKeyRCXOXAPBLLTHSC-UHFFFAOYSA-N
XLogP-0.37
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-(4,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-2-yl]cyclopropanesulfonamide with MolForge

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Related Compounds

(4,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 164704898
(4-chloro-5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 164704901
N-[5-[4-(1,1-difluoroethyl)-6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]-2,3a,4,6,7,7a-hexahydro-1H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxane-4-carboxamide
CID 153198878
5-(6-chloro-4-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 162450576
[3-(1-bicyclo[1.1.1]pentanyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4,5-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)methanone
CID 162450663
5-(4-chloro-5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-cyclopropyl-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 162450574
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(2,2-difluoroethyl)piperazin-1-yl]methanone
CID 119867026
(3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 164657914
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678313
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-ethylpiperidin-1-yl)methanone
CID 43584539
1-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-2-methoxyethanone;hydrochloride
CID 119281890
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119345006

Frequently Asked Questions

What is the IUPAC name of N-[5-(4,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-2-yl]cyclopropanesulfonamide?
The IUPAC name of N-[5-(4,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-2-yl]cyclopropanesulfonamide (CID 164704895) is N-[5-(4,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-2-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-(4,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-2-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-(4,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-2-yl]cyclopropanesulfonamide is O=C(C1CC2C(F)CC(F)CC2N1)N1CCN2NC(NS(=O)(=O)C3CC3)CC2C1.
What is the InChIKey of N-[5-(4,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-2-yl]cyclopropanesulfonamide?
The InChIKey is RCXOXAPBLLTHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F2N5O3S/c19-10-5-14(20)13-8-16(21-15(13)6-10)18(26)24-3-4-25-11(9-24)7-17(22-25)23-29(27,28)12-1-2-12/h10-17,21-23H,1-9H2.
What are the key properties of N-[5-(4,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-2-yl]cyclopropanesulfonamide?
N-[5-(4,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-2-yl]cyclopropanesulfonamide has a molecular weight of 433.53 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 164704895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).