[(1R,12R)-7-(2-methoxyphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-(2-methylpyrazol-3-yl)methanone

C23H22N6O2 — CID 98136482

IUPAC[(1R,12R)-7-(2-methoxyphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCOc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)c1ccnn1C
InChIInChI=1S/C23H22N6O2/c1-27-19(9-10-25-27)23(30)28-14-7-8-18(28)16-13-24-22-12-17(26-29(22)20(16)11-14)15-5-3-4-6-21(15)31-2/h3-6,9-10,12-14,18H,7-8,11H2,1-2H3/t14-,18-/m1/s1
InChIKeyNHHHCYGYBYBNDX-RDTXWAMCSA-N
MW414.47 g/mol
LogP3.04
Rot. Bonds3

About [(1R,12R)-7-(2-methoxyphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-(2-methylpyrazol-3-yl)methanone

[(1R,12R)-7-(2-methoxyphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 98136482) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is [(1R,12R)-7-(2-methoxyphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(1R,12R)-7-(2-methoxyphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID98136482
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name[(1R,12R)-7-(2-methoxyphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCOc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)c1ccnn1C
InChIInChI=1S/C23H22N6O2/c1-27-19(9-10-25-27)23(30)28-14-7-8-18(28)16-13-24-22-12-17(26-29(22)20(16)11-14)15-5-3-4-6-21(15)31-2/h3-6,9-10,12-14,18H,7-8,11H2,1-2H3/t14-,18-/m1/s1
InChIKeyNHHHCYGYBYBNDX-RDTXWAMCSA-N
XLogP3.04
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(1R,12R)-7-(2-methoxyphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-(2-methylpyrazol-3-yl)methanone with MolForge

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Related Compounds

4-(Azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid {2-[2-(2-fluoro-ethoxy)-phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-amide
CID 86666030
4-(azetidine-1-carbonyl)-N-[2-[2-(3-fluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414845
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378494
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378960
4-(azetidine-1-carbonyl)-N-[2-[2-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414866
4-N-(2-fluoroethyl)-5-N-[(7R)-2-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414990
5-(2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67774030
5-[2-(2-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67775649
N-[(3S)-1-[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N,2-dimethylpropanamide
CID 168282980
N-[(3S)-1-[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N,2,2-trimethylpropanamide
CID 168291872
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 9507180
5-(4-Methoxyphenyl)-2-(1-pyrrolidinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1111004

Frequently Asked Questions

What is the IUPAC name of [(1R,12R)-7-(2-methoxyphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [(1R,12R)-7-(2-methoxyphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-(2-methylpyrazol-3-yl)methanone (CID 98136482) is [(1R,12R)-7-(2-methoxyphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(1R,12R)-7-(2-methoxyphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(1R,12R)-7-(2-methoxyphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-(2-methylpyrazol-3-yl)methanone is COc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)c1ccnn1C.
What is the InChIKey of [(1R,12R)-7-(2-methoxyphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is NHHHCYGYBYBNDX-RDTXWAMCSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-27-19(9-10-25-27)23(30)28-14-7-8-18(28)16-13-24-22-12-17(26-29(22)20(16)11-14)15-5-3-4-6-21(15)31-2/h3-6,9-10,12-14,18H,7-8,11H2,1-2H3/t14-,18-/m1/s1.
What are the key properties of [(1R,12R)-7-(2-methoxyphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-(2-methylpyrazol-3-yl)methanone?
[(1R,12R)-7-(2-methoxyphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 414.47 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,12R)-7-(2-methoxyphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 98136482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).