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

C25H17N9 — CID 19573430

IUPAC4-(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
SMILESCc1cc(-c2ccccc2)nc2c(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)cnn12
InChIInChI=1S/C25H17N9/c1-16-12-21(17-8-4-2-5-9-17)29-25-19(13-27-33(16)25)22-30-24-20-14-28-34(18-10-6-3-7-11-18)23(20)26-15-32(24)31-22/h2-15H,1H3
InChIKeyWZVQRWBURABCBC-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.15
Rot. Bonds3

About 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

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 (PubChem CID 19573430) has the molecular formula C25H17N9 and a molecular weight of 443.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID19573430
Molecular FormulaC25H17N9
Molecular Weight443.47 g/mol
Exact Mass443.16
IUPAC Name4-(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
SMILESCc1cc(-c2ccccc2)nc2c(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)cnn12
InChIInChI=1S/C25H17N9/c1-16-12-21(17-8-4-2-5-9-17)29-25-19(13-27-33(16)25)22-30-24-20-14-28-34(18-10-6-3-7-11-18)23(20)26-15-32(24)31-22/h2-15H,1H3
InChIKeyWZVQRWBURABCBC-UHFFFAOYSA-N
XLogP4.15
TPSA91.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2ccccc2)nc2c(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)cnn12.
What is the InChIKey of 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?
The InChIKey is WZVQRWBURABCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N9/c1-16-12-21(17-8-4-2-5-9-17)29-25-19(13-27-33(16)25)22-30-24-20-14-28-34(18-10-6-3-7-11-18)23(20)26-15-32(24)31-22/h2-15H,1H3.
What are the key properties of 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?
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 has a molecular weight of 443.47 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 19573430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).