4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C24H20N8 — CID 4777503

IUPAC4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1cc(C)n(Cc2cccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)c2)n1
InChIInChI=1S/C24H20N8/c1-16-11-17(2)30(28-16)14-18-7-6-8-19(12-18)22-27-24-21-13-26-32(20-9-4-3-5-10-20)23(21)25-15-31(24)29-22/h3-13,15H,14H2,1-2H3
InChIKeyMCTZQRLFEPKXDR-UHFFFAOYSA-N
MW420.48 g/mol
LogP3.99
Rot. Bonds4

About 4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 4777503) has the molecular formula C24H20N8 and a molecular weight of 420.48 g/mol. Its IUPAC name is 4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID4777503
Molecular FormulaC24H20N8
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1cc(C)n(Cc2cccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)c2)n1
InChIInChI=1S/C24H20N8/c1-16-11-17(2)30(28-16)14-18-7-6-8-19(12-18)22-27-24-21-13-26-32(20-9-4-3-5-10-20)23(21)25-15-31(24)29-22/h3-13,15H,14H2,1-2H3
InChIKeyMCTZQRLFEPKXDR-UHFFFAOYSA-N
XLogP3.99
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4776628
4-[4-[(2,6-dimethylphenoxy)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19582237
10-benzyl-4-(3-fluorophenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4552845
10-benzyl-4-(4-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 753586
4-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19573430
10-(3,4-dichlorophenyl)-4-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 3377066
4-(5-methyl-1H-pyrazol-3-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19571448
10-methyl-4-[3-(pyrazol-1-ylmethyl)phenyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4777402
6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274997
10-benzyl-4-(3,5-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2015946
4-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19582520
4-(4-bromo-5-ethylthiophen-2-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4776746

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 4777503) is 4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1cc(C)n(Cc2cccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)c2)n1.
What is the InChIKey of 4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is MCTZQRLFEPKXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8/c1-16-11-17(2)30(28-16)14-18-7-6-8-19(12-18)22-27-24-21-13-26-32(20-9-4-3-5-10-20)23(21)25-15-31(24)29-22/h3-13,15H,14H2,1-2H3.
What are the key properties of 4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 420.48 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 4777503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).