(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)-(3-pyridin-2-yloxyphenyl)methanone

C22H19N5O2 — CID 73168969

IUPAC(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)-(3-pyridin-2-yloxyphenyl)methanone
SMILESCc1cc2ncc3c(n2n1)CCN(C(=O)c1cccc(Oc2ccccn2)c1)C3
InChIInChI=1S/C22H19N5O2/c1-15-11-20-24-13-17-14-26(10-8-19(17)27(20)25-15)22(28)16-5-4-6-18(12-16)29-21-7-2-3-9-23-21/h2-7,9,11-13H,8,10,14H2,1H3
InChIKeyCKQDTZDMQYQVNW-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.42
Rot. Bonds3

About (4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)-(3-pyridin-2-yloxyphenyl)methanone

(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)-(3-pyridin-2-yloxyphenyl)methanone (PubChem CID 73168969) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is (4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)-(3-pyridin-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)-(3-pyridin-2-yloxyphenyl)methanone
PubChem CID73168969
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)-(3-pyridin-2-yloxyphenyl)methanone
SMILESCc1cc2ncc3c(n2n1)CCN(C(=O)c1cccc(Oc2ccccn2)c1)C3
InChIInChI=1S/C22H19N5O2/c1-15-11-20-24-13-17-14-26(10-8-19(17)27(20)25-15)22(28)16-5-4-6-18(12-16)29-21-7-2-3-9-23-21/h2-7,9,11-13H,8,10,14H2,1H3
InChIKeyCKQDTZDMQYQVNW-UHFFFAOYSA-N
XLogP3.42
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)-(3-pyridin-2-yloxyphenyl)methanone with MolForge

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Related Compounds

1H-Pyrazolo[3,4-b]pyridine-4-carboxaMide, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,2-dihydro-4,6-diMethyl-2-oxo-3-pyridinyl)Methyl]-1-(1-Methylethyl)-
CID 16598922
N-methyl-4-(quinolin-2-ylmethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
CID 56596177
N-methyl-4-(quinolin-2-ylmethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)benzamide
CID 56596178
3-(imidazo[1,2-b]pyridazin-6-yloxy)-N-phenylbenzamide
CID 57441068
7-(3-Acrylamido phenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 117668361
2,3-Dihydro-1-benzofuran-6-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 118471706
4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)oxybenzamide
CID 146556093
2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)oxybenzamide
CID 146556264
5-[5-Amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
CID 156821338
4-[[(4R)-4-ethyl-1-methyl-5-(pyridin-2-ylmethyl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 162667903
CFTR activator 1
CID 163264127
(3-Ethoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10621987

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)-(3-pyridin-2-yloxyphenyl)methanone?
The IUPAC name of (4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)-(3-pyridin-2-yloxyphenyl)methanone (CID 73168969) is (4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)-(3-pyridin-2-yloxyphenyl)methanone.
What is the SMILES notation for (4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)-(3-pyridin-2-yloxyphenyl)methanone?
The canonical SMILES for (4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)-(3-pyridin-2-yloxyphenyl)methanone is Cc1cc2ncc3c(n2n1)CCN(C(=O)c1cccc(Oc2ccccn2)c1)C3.
What is the InChIKey of (4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)-(3-pyridin-2-yloxyphenyl)methanone?
The InChIKey is CKQDTZDMQYQVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-15-11-20-24-13-17-14-26(10-8-19(17)27(20)25-15)22(28)16-5-4-6-18(12-16)29-21-7-2-3-9-23-21/h2-7,9,11-13H,8,10,14H2,1H3.
What are the key properties of (4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)-(3-pyridin-2-yloxyphenyl)methanone?
(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)-(3-pyridin-2-yloxyphenyl)methanone has a molecular weight of 385.43 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)-(3-pyridin-2-yloxyphenyl)methanone is sourced from PubChem (CID 73168969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).