(3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide

C30H38N8O2 — CID 170635835

IUPAC(3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide
SMILESCCC1/C=C(c2cc(C)nn2C)/N=C\C(C)=C(C(=O)Nc2cc(NC(=O)CN3CC4CCC3C4)cnc2C)\C=N/1
InChIInChI=1S/C30H38N8O2/c1-6-22-11-27(28-9-19(3)36-37(28)5)33-13-18(2)25(15-32-22)30(40)35-26-12-23(14-31-20(26)4)34-29(39)17-38-16-21-7-8-24(38)10-21/h9,11-15,21-22,24H,6-8,10,16-17H2,1-5H3,(H,34,39)(H,35,40)/b25-18-,27-11+,32-15-,33-13-
InChIKeyJLYNMDCJXFIMEP-BMOXGEHISA-N
MW542.69 g/mol
LogP4.08
Rot. Bonds7

About (3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide

(3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide (PubChem CID 170635835) has the molecular formula C30H38N8O2 and a molecular weight of 542.69 g/mol. Its IUPAC name is (3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide.

Molecular Properties

Compound Name(3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide
PubChem CID170635835
Molecular FormulaC30H38N8O2
Molecular Weight542.69 g/mol
Exact Mass542.31
IUPAC Name(3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide
SMILESCCC1/C=C(c2cc(C)nn2C)/N=C\C(C)=C(C(=O)Nc2cc(NC(=O)CN3CC4CCC3C4)cnc2C)\C=N/1
InChIInChI=1S/C30H38N8O2/c1-6-22-11-27(28-9-19(3)36-37(28)5)33-13-18(2)25(15-32-22)30(40)35-26-12-23(14-31-20(26)4)34-29(39)17-38-16-21-7-8-24(38)10-21/h9,11-15,21-22,24H,6-8,10,16-17H2,1-5H3,(H,34,39)(H,35,40)/b25-18-,27-11+,32-15-,33-13-
InChIKeyJLYNMDCJXFIMEP-BMOXGEHISA-N
XLogP4.08
TPSA116.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.69
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide with MolForge

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Related Compounds

(3E,5Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-chloro-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide
CID 170635382
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide
CID 170635353
N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]-6-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170635792
6-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170635321
N-[4-[[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]phenyl]-5-methylfuran-3-carboxamide
CID 133127519
N-[5-[3-(2-azabicyclo[2.2.2]octan-2-yl)propanoylamino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 170633806
N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634973
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide
CID 91841754
2-[5-(hydroxymethyl)thiophen-3-yl]-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634921
6-(1-cyclopropylpyrazol-4-yl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170635849
(3Z,7Z)-N-[2-fluoro-5-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]phenyl]-2,7-dimethyl-4-(1-methylpyrazol-4-yl)-2H-1,5-diazonine-8-carboxamide
CID 170635629
N-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634759

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide?
The IUPAC name of (3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide (CID 170635835) is (3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide.
What is the SMILES notation for (3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide?
The canonical SMILES for (3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide is CCC1/C=C(c2cc(C)nn2C)/N=C\C(C)=C(C(=O)Nc2cc(NC(=O)CN3CC4CCC3C4)cnc2C)\C=N/1.
What is the InChIKey of (3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide?
The InChIKey is JLYNMDCJXFIMEP-BMOXGEHISA-N. The full InChI is InChI=1S/C30H38N8O2/c1-6-22-11-27(28-9-19(3)36-37(28)5)33-13-18(2)25(15-32-22)30(40)35-26-12-23(14-31-20(26)4)34-29(39)17-38-16-21-7-8-24(38)10-21/h9,11-15,21-22,24H,6-8,10,16-17H2,1-5H3,(H,34,39)(H,35,40)/b25-18-,27-11+,32-15-,33-13-.
What are the key properties of (3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide?
(3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide has a molecular weight of 542.69 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide is sourced from PubChem (CID 170635835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).