1,3-dimethyl-N-(2-methylpiperidin-3-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride

C14H22ClN5O2S — CID 120726657

IUPAC1,3-dimethyl-N-(2-methylpiperidin-3-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
SMILESCc1nn(C)c2ncc(S(=O)(=O)NC3CCCNC3C)cc12.Cl
InChIInChI=1S/C14H21N5O2S.ClH/c1-9-12-7-11(8-16-14(12)19(3)17-9)22(20,21)18-13-5-4-6-15-10(13)2;/h7-8,10,13,15,18H,4-6H2,1-3H3;1H
InChIKeyUOTYTMXCEWHGCP-UHFFFAOYSA-N
MW359.88 g/mol
LogP1.12
Rot. Bonds3

About 1,3-dimethyl-N-(2-methylpiperidin-3-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride

1,3-dimethyl-N-(2-methylpiperidin-3-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride (PubChem CID 120726657) has the molecular formula C14H22ClN5O2S and a molecular weight of 359.88 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methylpiperidin-3-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methylpiperidin-3-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
PubChem CID120726657
Molecular FormulaC14H22ClN5O2S
Molecular Weight359.88 g/mol
Exact Mass359.12
IUPAC Name1,3-dimethyl-N-(2-methylpiperidin-3-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
SMILESCc1nn(C)c2ncc(S(=O)(=O)NC3CCCNC3C)cc12.Cl
InChIInChI=1S/C14H21N5O2S.ClH/c1-9-12-7-11(8-16-14(12)19(3)17-9)22(20,21)18-13-5-4-6-15-10(13)2;/h7-8,10,13,15,18H,4-6H2,1-3H3;1H
InChIKeyUOTYTMXCEWHGCP-UHFFFAOYSA-N
XLogP1.12
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Czc-24832
CID 42623951
N-Methyl-(3-phenylsulfonyl)-7,8-dihydro-6H-cyclopenta[e]-pyrazolo[1,5-a]pyrimidin-2-amine
CID 44156628
N-Methyl-(3-phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazolin-2-amine
CID 44156754
N-Methyl-3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine
CID 46867519
N,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
2-[4-(N-(3-Dimethylaminopropyl)sulphamoyl)anilino]-
CID 5288595
Imidazo[1,2-b]pyridazine deriv. 2b
CID 6539038
N-{5-[(1-Cycloheptyl-1h-Pyrazolo[3,4-D]pyrimidin-6-Yl)amino]pyridin-2-Yl}methanesulfonamide
CID 53308640
AVN-322 free base
CID 44476436
4-(benzenesulfonyl)-N,11-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-amine
CID 44476607
10-(Benzenesulfonyl)-2-piperazin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 46889472
Imidazo[1,2-b]pyridazine deriv. 2d
CID 6539040

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methylpiperidin-3-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The IUPAC name of 1,3-dimethyl-N-(2-methylpiperidin-3-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride (CID 120726657) is 1,3-dimethyl-N-(2-methylpiperidin-3-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride.
What is the SMILES notation for 1,3-dimethyl-N-(2-methylpiperidin-3-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The canonical SMILES for 1,3-dimethyl-N-(2-methylpiperidin-3-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride is Cc1nn(C)c2ncc(S(=O)(=O)NC3CCCNC3C)cc12.Cl.
What is the InChIKey of 1,3-dimethyl-N-(2-methylpiperidin-3-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The InChIKey is UOTYTMXCEWHGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S.ClH/c1-9-12-7-11(8-16-14(12)19(3)17-9)22(20,21)18-13-5-4-6-15-10(13)2;/h7-8,10,13,15,18H,4-6H2,1-3H3;1H.
What are the key properties of 1,3-dimethyl-N-(2-methylpiperidin-3-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
1,3-dimethyl-N-(2-methylpiperidin-3-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride has a molecular weight of 359.88 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methylpiperidin-3-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120726657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).