(2R,4R)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

C21H23N7O2 — CID 123480106

IUPAC(2R,4R)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESCc1nc(C2(NC(=O)c3nn(-c4cnccn4)c4c3C[C@H]3C[C@@H]43)CCCCC2)no1
InChIInChI=1S/C21H23N7O2/c1-12-24-20(27-30-12)21(5-3-2-4-6-21)25-19(29)17-15-10-13-9-14(13)18(15)28(26-17)16-11-22-7-8-23-16/h7-8,11,13-14H,2-6,9-10H2,1H3,(H,25,29)/t13-,14-/m1/s1
InChIKeyKVEBXTUFAUFNRH-ZIAGYGMSSA-N
MW405.46 g/mol
LogP2.60
Rot. Bonds4

About (2R,4R)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

(2R,4R)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (PubChem CID 123480106) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is (2R,4R)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
PubChem CID123480106
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name(2R,4R)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESCc1nc(C2(NC(=O)c3nn(-c4cnccn4)c4c3C[C@H]3C[C@@H]43)CCCCC2)no1
InChIInChI=1S/C21H23N7O2/c1-12-24-20(27-30-12)21(5-3-2-4-6-21)25-19(29)17-15-10-13-9-14(13)18(15)28(26-17)16-11-22-7-8-23-16/h7-8,11,13-14H,2-6,9-10H2,1H3,(H,25,29)/t13-,14-/m1/s1
InChIKeyKVEBXTUFAUFNRH-ZIAGYGMSSA-N
XLogP2.60
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R,4R)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide with MolForge

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Related Compounds

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]pyrazine-2-carboxamide
CID 33357885
N-tert-butyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 75600426
methyl (2S,4S)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylate
CID 121373444
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyrazine-2-carboxamide
CID 47142312
(2R,4R)-N'-cyclobutyl-N'-methylsulfonyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbohydrazide
CID 135305269
(2S,4S)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 51030838
4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
CID 55622264
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86982746
methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate
CID 60559915
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-1,6-naphthyridine-4-carboxamide
CID 86801231
6-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 31164133
4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622238

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The IUPAC name of (2R,4R)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (CID 123480106) is (2R,4R)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.
What is the SMILES notation for (2R,4R)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The canonical SMILES for (2R,4R)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is Cc1nc(C2(NC(=O)c3nn(-c4cnccn4)c4c3C[C@H]3C[C@@H]43)CCCCC2)no1.
What is the InChIKey of (2R,4R)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The InChIKey is KVEBXTUFAUFNRH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-12-24-20(27-30-12)21(5-3-2-4-6-21)25-19(29)17-15-10-13-9-14(13)18(15)28(26-17)16-11-22-7-8-23-16/h7-8,11,13-14H,2-6,9-10H2,1H3,(H,25,29)/t13-,14-/m1/s1.
What are the key properties of (2R,4R)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
(2R,4R)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is sourced from PubChem (CID 123480106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).