(1S,2R,6S,7R)-N,N-dimethyl-10-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decane-4-sulfonamide

C19H25N5O3S — CID 154570308

IUPAC(1S,2R,6S,7R)-N,N-dimethyl-10-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decane-4-sulfonamide
SMILESCc1cccn2ncc(C(=O)N3[C@@H]4CC[C@H]3[C@H]3CN(S(=O)(=O)N(C)C)C[C@H]34)c12
InChIInChI=1S/C19H25N5O3S/c1-12-5-4-8-23-18(12)13(9-20-23)19(25)24-16-6-7-17(24)15-11-22(10-14(15)16)28(26,27)21(2)3/h4-5,8-9,14-17H,6-7,10-11H2,1-3H3/t14-,15+,16-,17+
InChIKeyIMCQRCYXKZHQQP-WNKDZCFJSA-N
MW403.51 g/mol
LogP0.98
Rot. Bonds3

About (1S,2R,6S,7R)-N,N-dimethyl-10-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decane-4-sulfonamide

(1S,2R,6S,7R)-N,N-dimethyl-10-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decane-4-sulfonamide (PubChem CID 154570308) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is (1S,2R,6S,7R)-N,N-dimethyl-10-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decane-4-sulfonamide.

Molecular Properties

Compound Name(1S,2R,6S,7R)-N,N-dimethyl-10-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decane-4-sulfonamide
PubChem CID154570308
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name(1S,2R,6S,7R)-N,N-dimethyl-10-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decane-4-sulfonamide
SMILESCc1cccn2ncc(C(=O)N3[C@@H]4CC[C@H]3[C@H]3CN(S(=O)(=O)N(C)C)C[C@H]34)c12
InChIInChI=1S/C19H25N5O3S/c1-12-5-4-8-23-18(12)13(9-20-23)19(25)24-16-6-7-17(24)15-11-22(10-14(15)16)28(26,27)21(2)3/h4-5,8-9,14-17H,6-7,10-11H2,1-3H3/t14-,15+,16-,17+
InChIKeyIMCQRCYXKZHQQP-WNKDZCFJSA-N
XLogP0.98
TPSA78.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S,2R,6S,7R)-N,N-dimethyl-10-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decane-4-sulfonamide with MolForge

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Related Compounds

[1-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 137340590
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 19770949
(4-methylpyrazolo[1,5-a]pyridin-3-yl)-(2-pyridin-2-ylmorpholin-4-yl)methanone
CID 137345147
(1R,8S,9S)-8-(3-methylbutyl)-11-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 164688154
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 137342067
N-(cyclobutylmethyl)-4-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137334645
[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 137342675
ethyl 4-[(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 138386106
(4-methylpyrazolo[1,5-a]pyridin-3-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 139599004
4-methyl-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137345564
N-[(3S,4R)-4-methoxypiperidin-3-yl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 154916814
2-amino-2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)acetic acid
CID 83832734

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S,7R)-N,N-dimethyl-10-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decane-4-sulfonamide?
The IUPAC name of (1S,2R,6S,7R)-N,N-dimethyl-10-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decane-4-sulfonamide (CID 154570308) is (1S,2R,6S,7R)-N,N-dimethyl-10-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decane-4-sulfonamide.
What is the SMILES notation for (1S,2R,6S,7R)-N,N-dimethyl-10-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decane-4-sulfonamide?
The canonical SMILES for (1S,2R,6S,7R)-N,N-dimethyl-10-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decane-4-sulfonamide is Cc1cccn2ncc(C(=O)N3[C@@H]4CC[C@H]3[C@H]3CN(S(=O)(=O)N(C)C)C[C@H]34)c12.
What is the InChIKey of (1S,2R,6S,7R)-N,N-dimethyl-10-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decane-4-sulfonamide?
The InChIKey is IMCQRCYXKZHQQP-WNKDZCFJSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-12-5-4-8-23-18(12)13(9-20-23)19(25)24-16-6-7-17(24)15-11-22(10-14(15)16)28(26,27)21(2)3/h4-5,8-9,14-17H,6-7,10-11H2,1-3H3/t14-,15+,16-,17+.
What are the key properties of (1S,2R,6S,7R)-N,N-dimethyl-10-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decane-4-sulfonamide?
(1S,2R,6S,7R)-N,N-dimethyl-10-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decane-4-sulfonamide has a molecular weight of 403.51 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S,7R)-N,N-dimethyl-10-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decane-4-sulfonamide is sourced from PubChem (CID 154570308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).