5-(4-chlorophenyl)-7-(5,6-difluoro-1H-indol-3-yl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine

C23H18ClF2N5 — CID 155729283

IUPAC5-(4-chlorophenyl)-7-(5,6-difluoro-1H-indol-3-yl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine
SMILESCCCc1nn(C)c2c(-c3c[nH]c4cc(F)c(F)cc34)nc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C23H18ClF2N5/c1-3-4-18-21-22(31(2)30-18)20(28-23(29-21)12-5-7-13(24)8-6-12)15-11-27-19-10-17(26)16(25)9-14(15)19/h5-11,27H,3-4H2,1-2H3
InChIKeyILYRVXDZINQHQG-UHFFFAOYSA-N
MW437.88 g/mol
LogP6.06
Rot. Bonds4

About 5-(4-chlorophenyl)-7-(5,6-difluoro-1H-indol-3-yl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine

5-(4-chlorophenyl)-7-(5,6-difluoro-1H-indol-3-yl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine (PubChem CID 155729283) has the molecular formula C23H18ClF2N5 and a molecular weight of 437.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(5,6-difluoro-1H-indol-3-yl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-(5,6-difluoro-1H-indol-3-yl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine
PubChem CID155729283
Molecular FormulaC23H18ClF2N5
Molecular Weight437.88 g/mol
Exact Mass437.12
IUPAC Name5-(4-chlorophenyl)-7-(5,6-difluoro-1H-indol-3-yl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine
SMILESCCCc1nn(C)c2c(-c3c[nH]c4cc(F)c(F)cc34)nc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C23H18ClF2N5/c1-3-4-18-21-22(31(2)30-18)20(28-23(29-21)12-5-7-13(24)8-6-12)15-11-27-19-10-17(26)16(25)9-14(15)19/h5-11,27H,3-4H2,1-2H3
InChIKeyILYRVXDZINQHQG-UHFFFAOYSA-N
XLogP6.06
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.88
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine
CID 139219191
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
5-(4-chlorophenyl)-N-[(E)-ethylideneamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
CID 139219210
N,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
CID 11509910
5-(3-bromo-4-fluorophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 137159755
5-(4-fluorophenyl)-1-methyl-7-(2-phenylethynyl)-3-propylpyrazolo[4,3-d]pyrimidine
CID 11523575
7-(4-chlorophenyl)-5,12-dimethyl-10-propyl-3,4,6,8,11,12-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene
CID 139219219
5-(4-fluorophenyl)-7-indol-1-yl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine
CID 11682468
7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine
CID 11581315
4-[7-[(3,4-dichlorophenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]benzoic acid
CID 23499048
5-(3-fluoro-4-methoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136969652

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-(5,6-difluoro-1H-indol-3-yl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-7-(5,6-difluoro-1H-indol-3-yl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine (CID 155729283) is 5-(4-chlorophenyl)-7-(5,6-difluoro-1H-indol-3-yl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-7-(5,6-difluoro-1H-indol-3-yl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-7-(5,6-difluoro-1H-indol-3-yl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine is CCCc1nn(C)c2c(-c3c[nH]c4cc(F)c(F)cc34)nc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 5-(4-chlorophenyl)-7-(5,6-difluoro-1H-indol-3-yl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine?
The InChIKey is ILYRVXDZINQHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N5/c1-3-4-18-21-22(31(2)30-18)20(28-23(29-21)12-5-7-13(24)8-6-12)15-11-27-19-10-17(26)16(25)9-14(15)19/h5-11,27H,3-4H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-7-(5,6-difluoro-1H-indol-3-yl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine?
5-(4-chlorophenyl)-7-(5,6-difluoro-1H-indol-3-yl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine has a molecular weight of 437.88 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-(5,6-difluoro-1H-indol-3-yl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 155729283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).