(1R,2S,8R,9S)-8-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride

C19H28ClN5O2 — CID 171709757

IUPAC(1R,2S,8R,9S)-8-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride
SMILESCc1[nH]nc2c1CN(C(=O)[C@H]1[C@@H]3CNC[C@@H](C3)[C@@H]3CCCC(=O)N31)CC2.Cl
InChIInChI=1S/C19H27N5O2.ClH/c1-11-14-10-23(6-5-15(14)22-21-11)19(26)18-13-7-12(8-20-9-13)16-3-2-4-17(25)24(16)18;/h12-13,16,18,20H,2-10H2,1H3,(H,21,22);1H/t12-,13+,16+,18-;/m1./s1
InChIKeyPSKYSOMYGOREMK-JEFAEPTISA-N
MW393.92 g/mol
LogP1.01
Rot. Bonds1

About (1R,2S,8R,9S)-8-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride

(1R,2S,8R,9S)-8-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride (PubChem CID 171709757) has the molecular formula C19H28ClN5O2 and a molecular weight of 393.92 g/mol. Its IUPAC name is (1R,2S,8R,9S)-8-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride.

Molecular Properties

Compound Name(1R,2S,8R,9S)-8-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride
PubChem CID171709757
Molecular FormulaC19H28ClN5O2
Molecular Weight393.92 g/mol
Exact Mass393.19
IUPAC Name(1R,2S,8R,9S)-8-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride
SMILESCc1[nH]nc2c1CN(C(=O)[C@H]1[C@@H]3CNC[C@@H](C3)[C@@H]3CCCC(=O)N31)CC2.Cl
InChIInChI=1S/C19H27N5O2.ClH/c1-11-14-10-23(6-5-15(14)22-21-11)19(26)18-13-7-12(8-20-9-13)16-3-2-4-17(25)24(16)18;/h12-13,16,18,20H,2-10H2,1H3,(H,21,22);1H/t12-,13+,16+,18-;/m1./s1
InChIKeyPSKYSOMYGOREMK-JEFAEPTISA-N
XLogP1.01
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2S,8R,9S)-8-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride with MolForge

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Related Compounds

(1R,2S,8R,9S)-8-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride
CID 171710683
(1R,2S,8R,9S)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride
CID 171709507
(1R,2S,8R,9S)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride
CID 171708045
(1R,2S,8R,9S)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride
CID 171708238
N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride
CID 171707604
tert-butyl 3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 161113492
6-methyl-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 171708490
ethane;1-(3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepin-5-yl)propan-1-one
CID 144955053
N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 171712067
4-methyl-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one
CID 172668051
(1R,2S,8R,9S)-11-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-8-(thiomorpholine-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 171388671
2-(4-chlorophenyl)-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]acetamide;hydrochloride
CID 171706757

Frequently Asked Questions

What is the IUPAC name of (1R,2S,8R,9S)-8-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride?
The IUPAC name of (1R,2S,8R,9S)-8-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride (CID 171709757) is (1R,2S,8R,9S)-8-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride.
What is the SMILES notation for (1R,2S,8R,9S)-8-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride?
The canonical SMILES for (1R,2S,8R,9S)-8-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride is Cc1[nH]nc2c1CN(C(=O)[C@H]1[C@@H]3CNC[C@@H](C3)[C@@H]3CCCC(=O)N31)CC2.Cl.
What is the InChIKey of (1R,2S,8R,9S)-8-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride?
The InChIKey is PSKYSOMYGOREMK-JEFAEPTISA-N. The full InChI is InChI=1S/C19H27N5O2.ClH/c1-11-14-10-23(6-5-15(14)22-21-11)19(26)18-13-7-12(8-20-9-13)16-3-2-4-17(25)24(16)18;/h12-13,16,18,20H,2-10H2,1H3,(H,21,22);1H/t12-,13+,16+,18-;/m1./s1.
What are the key properties of (1R,2S,8R,9S)-8-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride?
(1R,2S,8R,9S)-8-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,8R,9S)-8-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride is sourced from PubChem (CID 171709757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).