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

C21H30Cl2N6O2 — CID 171324997

IUPAC2,3-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
SMILESCc1nc2c(C(=O)NC[C@H]3[C@@H]4CNC[C@@H](C4)[C@@H]4CCCC(=O)N43)ccnc2n1C.Cl.Cl
InChIInChI=1S/C21H28N6O2.2ClH/c1-12-25-19-15(6-7-23-20(19)26(12)2)21(29)24-11-17-14-8-13(9-22-10-14)16-4-3-5-18(28)27(16)17;;/h6-7,13-14,16-17,22H,3-5,8-11H2,1-2H3,(H,24,29);2*1H/t13-,14+,16+,17+;;/m1../s1
InChIKeyXKLOSFXZOAANQN-GMQBPZJWSA-N
MW469.42 g/mol
LogP1.84
Rot. Bonds3

About 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

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 (PubChem CID 171324997) has the molecular formula C21H30Cl2N6O2 and a molecular weight of 469.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,3-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
PubChem CID171324997
Molecular FormulaC21H30Cl2N6O2
Molecular Weight469.42 g/mol
Exact Mass468.18
IUPAC Name2,3-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
SMILESCc1nc2c(C(=O)NC[C@H]3[C@@H]4CNC[C@@H](C4)[C@@H]4CCCC(=O)N43)ccnc2n1C.Cl.Cl
InChIInChI=1S/C21H28N6O2.2ClH/c1-12-25-19-15(6-7-23-20(19)26(12)2)21(29)24-11-17-14-8-13(9-22-10-14)16-4-3-5-18(28)27(16)17;;/h6-7,13-14,16-17,22H,3-5,8-11H2,1-2H3,(H,24,29);2*1H/t13-,14+,16+,17+;;/m1../s1
InChIKeyXKLOSFXZOAANQN-GMQBPZJWSA-N
XLogP1.84
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 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
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
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-[[(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
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)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-4-phenylpyrimidine-5-carboxamide;dihydrochloride
CID 171325769
methyl 2-[(1R,2S,8R,9S)-8-(acetamidomethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxylate
CID 169420339
(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
(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 163308956
N-[[(1R,2S,8R,9S)-11-(9-methylpurin-2-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]acetamide
CID 169413181

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2c(C(=O)NC[C@H]3[C@@H]4CNC[C@@H](C4)[C@@H]4CCCC(=O)N43)ccnc2n1C.Cl.Cl.
What is the InChIKey of 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?
The InChIKey is XKLOSFXZOAANQN-GMQBPZJWSA-N. The full InChI is InChI=1S/C21H28N6O2.2ClH/c1-12-25-19-15(6-7-23-20(19)26(12)2)21(29)24-11-17-14-8-13(9-22-10-14)16-4-3-5-18(28)27(16)17;;/h6-7,13-14,16-17,22H,3-5,8-11H2,1-2H3,(H,24,29);2*1H/t13-,14+,16+,17+;;/m1../s1.
What are the key properties of 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?
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 has a molecular weight of 469.42 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171324997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).