7-methyl-4-(methylaminomethyl)-10-[(1-methyl-6,7-dihydroindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one

C19H21N7OS — CID 142530852

IUPAC7-methyl-4-(methylaminomethyl)-10-[(1-methyl-6,7-dihydroindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
SMILESCNCc1nc2c(s1)c1cnn(CC3=CCCc4c3cnn4C)c(=O)c1n2C
InChIInChI=1S/C19H21N7OS/c1-20-9-15-23-18-17(28-15)13-8-22-26(19(27)16(13)24(18)2)10-11-5-4-6-14-12(11)7-21-25(14)3/h5,7-8,20H,4,6,9-10H2,1-3H3
InChIKeyYXZFORWOYQVIIG-UHFFFAOYSA-N
MW395.49 g/mol
LogP1.83
Rot. Bonds4

About 7-methyl-4-(methylaminomethyl)-10-[(1-methyl-6,7-dihydroindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one

7-methyl-4-(methylaminomethyl)-10-[(1-methyl-6,7-dihydroindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one (PubChem CID 142530852) has the molecular formula C19H21N7OS and a molecular weight of 395.49 g/mol. Its IUPAC name is 7-methyl-4-(methylaminomethyl)-10-[(1-methyl-6,7-dihydroindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one.

Molecular Properties

Compound Name7-methyl-4-(methylaminomethyl)-10-[(1-methyl-6,7-dihydroindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
PubChem CID142530852
Molecular FormulaC19H21N7OS
Molecular Weight395.49 g/mol
Exact Mass395.15
IUPAC Name7-methyl-4-(methylaminomethyl)-10-[(1-methyl-6,7-dihydroindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
SMILESCNCc1nc2c(s1)c1cnn(CC3=CCCc4c3cnn4C)c(=O)c1n2C
InChIInChI=1S/C19H21N7OS/c1-20-9-15-23-18-17(28-15)13-8-22-26(19(27)16(13)24(18)2)10-11-5-4-6-14-12(11)7-21-25(14)3/h5,7-8,20H,4,6,9-10H2,1-3H3
InChIKeyYXZFORWOYQVIIG-UHFFFAOYSA-N
XLogP1.83
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-methyl-4-(methylaminomethyl)-10-[(1-methyl-6,7-dihydroindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one with MolForge

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Launch Full Analysis

Related Compounds

4-(chloromethyl)-10-(6,7-dihydro-1H-indazol-4-ylmethyl)-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 142530947
7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 170028345
10-[(2-amino-1,3-oxazol-4-yl)methyl]-7-methyl-4-(1,2,3,4-tetrahydroazocin-6-ylmethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 174020837
4-(4,5-dihydro-1H-pyrazol-3-ylmethyl)-7-methyl-10-(1,3-thiazol-5-ylmethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 167158103
7-methyl-4-(3H-pyrrol-5-ylmethyl)-10-[[5-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 159115011
10-benzyl-7-methyl-4-(2H-tetrazol-5-ylmethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 154589003
3-[[10-(1H-indazol-4-ylmethyl)-7-methyl-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-4-yl]methylamino]cyclopropane-1,2-dione
CID 163575847
7-methyl-10-[(1-methyltriazol-4-yl)methyl]-4-(2H-pyrrol-5-ylmethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 159631177
7-methyl-10-[(4-methylpyrimidin-2-yl)methyl]-4-(1H-pyrazol-5-ylmethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 157358774
7-methyl-10-[(4-methyl-1H-pyrazol-5-yl)methyl]-4-(1H-pyrazol-5-ylmethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 152829137
7-methyl-10-[(2-methyl-1,3-dihydroindazol-4-yl)methyl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 142531051
4-[[2-(hydroxymethyl)-1,3-thiazol-4-yl]methyl]-7-methyl-10-[(3-methyl-2,4-dihydrotriazol-5-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 167158208

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(methylaminomethyl)-10-[(1-methyl-6,7-dihydroindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?
The IUPAC name of 7-methyl-4-(methylaminomethyl)-10-[(1-methyl-6,7-dihydroindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one (CID 142530852) is 7-methyl-4-(methylaminomethyl)-10-[(1-methyl-6,7-dihydroindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one.
What is the SMILES notation for 7-methyl-4-(methylaminomethyl)-10-[(1-methyl-6,7-dihydroindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?
The canonical SMILES for 7-methyl-4-(methylaminomethyl)-10-[(1-methyl-6,7-dihydroindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one is CNCc1nc2c(s1)c1cnn(CC3=CCCc4c3cnn4C)c(=O)c1n2C.
What is the InChIKey of 7-methyl-4-(methylaminomethyl)-10-[(1-methyl-6,7-dihydroindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?
The InChIKey is YXZFORWOYQVIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7OS/c1-20-9-15-23-18-17(28-15)13-8-22-26(19(27)16(13)24(18)2)10-11-5-4-6-14-12(11)7-21-25(14)3/h5,7-8,20H,4,6,9-10H2,1-3H3.
What are the key properties of 7-methyl-4-(methylaminomethyl)-10-[(1-methyl-6,7-dihydroindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?
7-methyl-4-(methylaminomethyl)-10-[(1-methyl-6,7-dihydroindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one has a molecular weight of 395.49 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(methylaminomethyl)-10-[(1-methyl-6,7-dihydroindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one is sourced from PubChem (CID 142530852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).