5-[[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one

C25H20N8O — CID 10366402

IUPAC5-[[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
SMILESCCc1cc(NCc2ccc3c(-c4nn[nH]n4)cc4ccccc4c(=O)c3c2)n2nccc2n1
InChIInChI=1S/C25H20N8O/c1-2-17-13-23(33-22(28-17)9-10-27-33)26-14-15-7-8-19-20(11-15)24(34)18-6-4-3-5-16(18)12-21(19)25-29-31-32-30-25/h3-13,26H,2,14H2,1H3,(H,29,30,31,32)
InChIKeyANIKSCLODKRPIM-UHFFFAOYSA-N
MW448.49 g/mol
LogP3.75
Rot. Bonds5

About 5-[[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one

5-[[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one (PubChem CID 10366402) has the molecular formula C25H20N8O and a molecular weight of 448.49 g/mol. Its IUPAC name is 5-[[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one.

Molecular Properties

Compound Name5-[[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
PubChem CID10366402
Molecular FormulaC25H20N8O
Molecular Weight448.49 g/mol
Exact Mass448.18
IUPAC Name5-[[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
SMILESCCc1cc(NCc2ccc3c(-c4nn[nH]n4)cc4ccccc4c(=O)c3c2)n2nccc2n1
InChIInChI=1S/C25H20N8O/c1-2-17-13-23(33-22(28-17)9-10-27-33)26-14-15-7-8-19-20(11-15)24(34)18-6-4-3-5-16(18)12-21(19)25-29-31-32-30-25/h3-13,26H,2,14H2,1H3,(H,29,30,31,32)
InChIKeyANIKSCLODKRPIM-UHFFFAOYSA-N
XLogP3.75
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one 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 5-[[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
The IUPAC name of 5-[[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one (CID 10366402) is 5-[[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one.
What is the SMILES notation for 5-[[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
The canonical SMILES for 5-[[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one is CCc1cc(NCc2ccc3c(-c4nn[nH]n4)cc4ccccc4c(=O)c3c2)n2nccc2n1.
What is the InChIKey of 5-[[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
The InChIKey is ANIKSCLODKRPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N8O/c1-2-17-13-23(33-22(28-17)9-10-27-33)26-14-15-7-8-19-20(11-15)24(34)18-6-4-3-5-16(18)12-21(19)25-29-31-32-30-25/h3-13,26H,2,14H2,1H3,(H,29,30,31,32).
What are the key properties of 5-[[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
5-[[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one has a molecular weight of 448.49 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one is sourced from PubChem (CID 10366402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).