5-(4-fluorophenyl)-7-indol-1-yl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine

C23H20FN5 — CID 11682468

IUPAC5-(4-fluorophenyl)-7-indol-1-yl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine
SMILESCCCc1nn(C)c2c(-n3ccc4ccccc43)nc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C23H20FN5/c1-3-6-18-20-21(28(2)27-18)23(29-14-13-15-7-4-5-8-19(15)29)26-22(25-20)16-9-11-17(24)12-10-16/h4-5,7-14H,3,6H2,1-2H3
InChIKeyURWRZQILYZTGMC-UHFFFAOYSA-N
MW385.45 g/mol
LogP5.07
Rot. Bonds4

About 5-(4-fluorophenyl)-7-indol-1-yl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine

5-(4-fluorophenyl)-7-indol-1-yl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine (PubChem CID 11682468) has the molecular formula C23H20FN5 and a molecular weight of 385.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-indol-1-yl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-indol-1-yl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine
PubChem CID11682468
Molecular FormulaC23H20FN5
Molecular Weight385.45 g/mol
Exact Mass385.17
IUPAC Name5-(4-fluorophenyl)-7-indol-1-yl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine
SMILESCCCc1nn(C)c2c(-n3ccc4ccccc43)nc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C23H20FN5/c1-3-6-18-20-21(28(2)27-18)23(29-14-13-15-7-4-5-8-19(15)29)26-22(25-20)16-9-11-17(24)12-10-16/h4-5,7-14H,3,6H2,1-2H3
InChIKeyURWRZQILYZTGMC-UHFFFAOYSA-N
XLogP5.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.45
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine
CID 11581315
5-(4-fluorophenyl)-1-methyl-7-(2-phenylethynyl)-3-propylpyrazolo[4,3-d]pyrimidine
CID 11523575
N,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
CID 11509910
5-(4-fluorophenyl)-1-methyl-7-(4-methylsulfanylphenyl)-3-propylpyrazolo[4,5-d]pyrimidine
CID 11668307
5-(4-fluorophenyl)-1-methyl-7-(4-methylsulfonylphenyl)-3-propylpyrazolo[4,5-d]pyrimidine
CID 11517462
7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine
CID 139219191
6-indol-1-yl-9-propyl-2-[4-(trifluoromethyl)phenyl]purine
CID 139052465
5-(4-chlorophenyl)-N-[(E)-ethylideneamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
CID 139219210
5-(4-chlorophenyl)-7-(5,6-difluoro-1H-indol-3-yl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine
CID 155729283
2-chloro-4-[(1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-yl)amino]phenol;hydrochloride
CID 135424677
1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135422892
1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135907933

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-indol-1-yl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-7-indol-1-yl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine (CID 11682468) is 5-(4-fluorophenyl)-7-indol-1-yl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-7-indol-1-yl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-7-indol-1-yl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine is CCCc1nn(C)c2c(-n3ccc4ccccc43)nc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 5-(4-fluorophenyl)-7-indol-1-yl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine?
The InChIKey is URWRZQILYZTGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5/c1-3-6-18-20-21(28(2)27-18)23(29-14-13-15-7-4-5-8-19(15)29)26-22(25-20)16-9-11-17(24)12-10-16/h4-5,7-14H,3,6H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-7-indol-1-yl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine?
5-(4-fluorophenyl)-7-indol-1-yl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine has a molecular weight of 385.45 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7-indol-1-yl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 11682468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).