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

C21H28ClN5O2 — CID 171708490

IUPAC6-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
SMILESCc1ccc2c(C(=O)NC[C@H]3[C@@H]4CNC[C@@H](C4)[C@@H]4CCCC(=O)N43)cnn2c1.Cl
InChIInChI=1S/C21H27N5O2.ClH/c1-13-5-6-18-16(10-24-25(18)12-13)21(28)23-11-19-15-7-14(8-22-9-15)17-3-2-4-20(27)26(17)19;/h5-6,10,12,14-15,17,19,22H,2-4,7-9,11H2,1H3,(H,23,28);1H/t14-,15+,17+,19+;/m1./s1
InChIKeySSQXMLFWJUCJDU-BOVBABRDSA-N
MW417.94 g/mol
LogP1.78
Rot. Bonds3

About 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

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 (PubChem CID 171708490) has the molecular formula C21H28ClN5O2 and a molecular weight of 417.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID171708490
Molecular FormulaC21H28ClN5O2
Molecular Weight417.94 g/mol
Exact Mass417.19
IUPAC Name6-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
SMILESCc1ccc2c(C(=O)NC[C@H]3[C@@H]4CNC[C@@H](C4)[C@@H]4CCCC(=O)N43)cnn2c1.Cl
InChIInChI=1S/C21H27N5O2.ClH/c1-13-5-6-18-16(10-24-25(18)12-13)21(28)23-11-19-15-7-14(8-22-9-15)17-3-2-4-20(27)26(17)19;/h5-6,10,12,14-15,17,19,22H,2-4,7-9,11H2,1H3,(H,23,28);1H/t14-,15+,17+,19+;/m1./s1
InChIKeySSQXMLFWJUCJDU-BOVBABRDSA-N
XLogP1.78
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

5-hydroxy-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]isoquinoline-6-carboxamide;dihydrochloride
CID 171325861
2,3-dimethyl-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]imidazo[4,5-b]pyridine-7-carboxamide;dihydrochloride
CID 171324997
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
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
3-(1H-benzimidazol-2-yl)-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]propanamide;dihydrochloride
CID 171325832
N-[(3S,4R)-4-methoxypiperidin-3-yl]-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 137344084
3-(3-chloro-1,2-oxazol-5-yl)-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]propanamide;hydrochloride
CID 171713458
N-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide
CID 171915252
N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-4-phenylpyrimidine-5-carboxamide;dihydrochloride
CID 171325769
(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
(1R,2S,8R,9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;dihydrochloride
CID 171329703
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 120947622

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(C(=O)NC[C@H]3[C@@H]4CNC[C@@H](C4)[C@@H]4CCCC(=O)N43)cnn2c1.Cl.
What is the InChIKey of 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?
The InChIKey is SSQXMLFWJUCJDU-BOVBABRDSA-N. The full InChI is InChI=1S/C21H27N5O2.ClH/c1-13-5-6-18-16(10-24-25(18)12-13)21(28)23-11-19-15-7-14(8-22-9-15)17-3-2-4-20(27)26(17)19;/h5-6,10,12,14-15,17,19,22H,2-4,7-9,11H2,1H3,(H,23,28);1H/t14-,15+,17+,19+;/m1./s1.
What are the key properties of 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?
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 has a molecular weight of 417.94 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171708490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).