(1R,9R,10R)-17-methyl-N-pyrazin-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine

C21H26N4 — CID 122690022

IUPAC(1R,9R,10R)-17-methyl-N-pyrazin-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine
SMILESCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2cnccn2)cc13
InChIInChI=1S/C21H26N4/c1-25-11-8-21-7-3-2-4-17(21)19(25)12-15-5-6-16(13-18(15)21)24-20-14-22-9-10-23-20/h5-6,9-10,13-14,17,19H,2-4,7-8,11-12H2,1H3,(H,23,24)/t17-,19+,21+/m0/s1
InChIKeyIJYSFWGIKWABGZ-FBBABVLZSA-N
MW334.47 g/mol
LogP3.91
Rot. Bonds2

About (1R,9R,10R)-17-methyl-N-pyrazin-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine

(1R,9R,10R)-17-methyl-N-pyrazin-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine (PubChem CID 122690022) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is (1R,9R,10R)-17-methyl-N-pyrazin-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine.

Molecular Properties

Compound Name(1R,9R,10R)-17-methyl-N-pyrazin-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine
PubChem CID122690022
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name(1R,9R,10R)-17-methyl-N-pyrazin-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine
SMILESCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2cnccn2)cc13
InChIInChI=1S/C21H26N4/c1-25-11-8-21-7-3-2-4-17(21)19(25)12-15-5-6-16(13-18(15)21)24-20-14-22-9-10-23-20/h5-6,9-10,13-14,17,19H,2-4,7-8,11-12H2,1H3,(H,23,24)/t17-,19+,21+/m0/s1
InChIKeyIJYSFWGIKWABGZ-FBBABVLZSA-N
XLogP3.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,9R,10R)-17-methyl-N-pyrazin-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine with MolForge

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Related Compounds

(1R,9R,10R)-N,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine;oxalic acid
CID 158743909
4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 3079
(1R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine
CID 23315065
4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 3008
(1S,9S,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 5390113
(1R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrobromide
CID 44537559
(1R,9R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride
CID 163369553
(1S,9R)-4-butoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 21458229
(1R,9R,10S)-4-(deuteriomethyl)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 87317360
trimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane
CID 57362227
N-methyl-1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]methanamine
CID 155312970
[(1S,9S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]methanol
CID 68916875

Frequently Asked Questions

What is the IUPAC name of (1R,9R,10R)-17-methyl-N-pyrazin-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine?
The IUPAC name of (1R,9R,10R)-17-methyl-N-pyrazin-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine (CID 122690022) is (1R,9R,10R)-17-methyl-N-pyrazin-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine.
What is the SMILES notation for (1R,9R,10R)-17-methyl-N-pyrazin-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine?
The canonical SMILES for (1R,9R,10R)-17-methyl-N-pyrazin-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine is CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2cnccn2)cc13.
What is the InChIKey of (1R,9R,10R)-17-methyl-N-pyrazin-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine?
The InChIKey is IJYSFWGIKWABGZ-FBBABVLZSA-N. The full InChI is InChI=1S/C21H26N4/c1-25-11-8-21-7-3-2-4-17(21)19(25)12-15-5-6-16(13-18(15)21)24-20-14-22-9-10-23-20/h5-6,9-10,13-14,17,19H,2-4,7-8,11-12H2,1H3,(H,23,24)/t17-,19+,21+/m0/s1.
What are the key properties of (1R,9R,10R)-17-methyl-N-pyrazin-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine?
(1R,9R,10R)-17-methyl-N-pyrazin-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine has a molecular weight of 334.47 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10R)-17-methyl-N-pyrazin-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine is sourced from PubChem (CID 122690022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).