N-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide

C17H25N5O2S — CID 70736904

IUPACN-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide
SMILESCCc1ccc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)nc1
InChIInChI=1S/C17H25N5O2S/c1-3-14-5-6-15(18-10-14)12-21-7-4-8-22-17(13-21)9-16(20-22)11-19-25(2,23)24/h5-6,9-10,19H,3-4,7-8,11-13H2,1-2H3
InChIKeyNNRSFBAXVVLVOJ-UHFFFAOYSA-N
MW363.49 g/mol
LogP1.30
Rot. Bonds6

About N-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide

N-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide (PubChem CID 70736904) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is N-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide
PubChem CID70736904
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC NameN-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide
SMILESCCc1ccc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)nc1
InChIInChI=1S/C17H25N5O2S/c1-3-14-5-6-15(18-10-14)12-21-7-4-8-22-17(13-21)9-16(20-22)11-19-25(2,23)24/h5-6,9-10,19H,3-4,7-8,11-13H2,1-2H3
InChIKeyNNRSFBAXVVLVOJ-UHFFFAOYSA-N
XLogP1.30
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[5-[(5-ethyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118771707
N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide
CID 70704519
N-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide
CID 118771862
5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
3-[[5-[[6-(dimethylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,1-dimethylurea
CID 70737930
N-[[5-[4-(ethylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide
CID 70714372
N-[[5-[(4-ethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 72842327
N-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide
CID 118772859
N-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide
CID 57090435
1,1-dimethyl-3-[[5-[(4-methylsulfanylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]urea
CID 70777702
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine
CID 118638744

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide (CID 70736904) is N-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide is CCc1ccc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)nc1.
What is the InChIKey of N-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide?
The InChIKey is NNRSFBAXVVLVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-3-14-5-6-15(18-10-14)12-21-7-4-8-22-17(13-21)9-16(20-22)11-19-25(2,23)24/h5-6,9-10,19H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of N-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide?
N-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide has a molecular weight of 363.49 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 70736904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).