[6-amino-8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl]-[(2R)-oxolan-2-yl]methanone

C23H24ClN7O2 — CID 156783133

IUPAC[6-amino-8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCC1(C)CN(C(=O)[C@H]2CCCO2)Cc2c(-c3[nH]c4ncccc4c3Cl)c3c(N)ncnc3n21
InChIInChI=1S/C23H24ClN7O2/c1-23(2)10-30(22(32)14-6-4-8-33-14)9-13-15(16-19(25)27-11-28-21(16)31(13)23)18-17(24)12-5-3-7-26-20(12)29-18/h3,5,7,11,14H,4,6,8-10H2,1-2H3,(H,26,29)(H2,25,27,28)/t14-/m1/s1
InChIKeyOLKQMKSCVRSLOQ-CQSZACIVSA-N
MW465.95 g/mol
LogP3.47
Rot. Bonds2

About [6-amino-8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl]-[(2R)-oxolan-2-yl]methanone

[6-amino-8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 156783133) has the molecular formula C23H24ClN7O2 and a molecular weight of 465.95 g/mol. Its IUPAC name is [6-amino-8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[6-amino-8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID156783133
Molecular FormulaC23H24ClN7O2
Molecular Weight465.95 g/mol
Exact Mass465.17
IUPAC Name[6-amino-8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCC1(C)CN(C(=O)[C@H]2CCCO2)Cc2c(-c3[nH]c4ncccc4c3Cl)c3c(N)ncnc3n21
InChIInChI=1S/C23H24ClN7O2/c1-23(2)10-30(22(32)14-6-4-8-33-14)9-13-15(16-19(25)27-11-28-21(16)31(13)23)18-17(24)12-5-3-7-26-20(12)29-18/h3,5,7,11,14H,4,6,8-10H2,1-2H3,(H,26,29)(H2,25,27,28)/t14-/m1/s1
InChIKeyOLKQMKSCVRSLOQ-CQSZACIVSA-N
XLogP3.47
TPSA114.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.95
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [6-amino-8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl]-[(2R)-oxolan-2-yl]methanone with MolForge

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Related Compounds

3-[4-amino-3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol
CID 137254483
1-[6-amino-8-(3-chloro-3-methyl-1,2-dihydropyrrolo[2,3-b]pyridin-2-yl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclopropane]-11-yl]-2-methylpropan-1-one
CID 166885534
N-(2-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 4166852
4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855628
1-[6-amino-8-[2-(2-cyclopropyl-4,6-difluoro-1,3-benzothiazol-5-yl)ethyl]-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl]prop-2-en-1-one
CID 176550992
oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 86844171
[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone
CID 110139378
[(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398115
[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-[(2S)-oxolan-2-yl]methanone
CID 124798653
2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-chloro-N-(oxan-4-yl)-1H-indole-6-carboxamide
CID 138522584
N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 17297614
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880

Frequently Asked Questions

What is the IUPAC name of [6-amino-8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [6-amino-8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl]-[(2R)-oxolan-2-yl]methanone (CID 156783133) is [6-amino-8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [6-amino-8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [6-amino-8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl]-[(2R)-oxolan-2-yl]methanone is CC1(C)CN(C(=O)[C@H]2CCCO2)Cc2c(-c3[nH]c4ncccc4c3Cl)c3c(N)ncnc3n21.
What is the InChIKey of [6-amino-8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is OLKQMKSCVRSLOQ-CQSZACIVSA-N. The full InChI is InChI=1S/C23H24ClN7O2/c1-23(2)10-30(22(32)14-6-4-8-33-14)9-13-15(16-19(25)27-11-28-21(16)31(13)23)18-17(24)12-5-3-7-26-20(12)29-18/h3,5,7,11,14H,4,6,8-10H2,1-2H3,(H,26,29)(H2,25,27,28)/t14-/m1/s1.
What are the key properties of [6-amino-8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl]-[(2R)-oxolan-2-yl]methanone?
[6-amino-8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 465.95 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 156783133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).