2-(1H-indol-2-yl)-9-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene

C22H21N5 — CID 141447112

IUPAC2-(1H-indol-2-yl)-9-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
SMILESc1ccc2[nH]c(C34CC3Cc3[nH]nc(-c5n[nH]c6c5CCCC6)c34)cc2c1
InChIInChI=1S/C22H21N5/c1-3-7-15-12(5-1)9-18(23-15)22-11-13(22)10-17-19(22)21(27-25-17)20-14-6-2-4-8-16(14)24-26-20/h1,3,5,7,9,13,23H,2,4,6,8,10-11H2,(H,24,26)(H,25,27)
InChIKeyQTWKOWKBDPUBSB-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.02
Rot. Bonds2

About 2-(1H-indol-2-yl)-9-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene

2-(1H-indol-2-yl)-9-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene (PubChem CID 141447112) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-9-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-9-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
PubChem CID141447112
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name2-(1H-indol-2-yl)-9-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
SMILESc1ccc2[nH]c(C34CC3Cc3[nH]nc(-c5n[nH]c6c5CCCC6)c34)cc2c1
InChIInChI=1S/C22H21N5/c1-3-7-15-12(5-1)9-18(23-15)22-11-13(22)10-17-19(22)21(27-25-17)20-14-6-2-4-8-16(14)24-26-20/h1,3,5,7,9,13,23H,2,4,6,8,10-11H2,(H,24,26)(H,25,27)
InChIKeyQTWKOWKBDPUBSB-UHFFFAOYSA-N
XLogP4.02
TPSA73.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-(1H-indol-2-yl)-9-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-9-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The IUPAC name of 2-(1H-indol-2-yl)-9-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene (CID 141447112) is 2-(1H-indol-2-yl)-9-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene.
What is the SMILES notation for 2-(1H-indol-2-yl)-9-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The canonical SMILES for 2-(1H-indol-2-yl)-9-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene is c1ccc2[nH]c(C34CC3Cc3[nH]nc(-c5n[nH]c6c5CCCC6)c34)cc2c1.
What is the InChIKey of 2-(1H-indol-2-yl)-9-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The InChIKey is QTWKOWKBDPUBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-3-7-15-12(5-1)9-18(23-15)22-11-13(22)10-17-19(22)21(27-25-17)20-14-6-2-4-8-16(14)24-26-20/h1,3,5,7,9,13,23H,2,4,6,8,10-11H2,(H,24,26)(H,25,27).
What are the key properties of 2-(1H-indol-2-yl)-9-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
2-(1H-indol-2-yl)-9-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene has a molecular weight of 355.45 g/mol, XLogP of 4.02, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)-9-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene is sourced from PubChem (CID 141447112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).