5-cyclopropyl-8-fluoro-2-(5-naphthalen-1-ylthiophen-2-yl)-1-phenylpyrazolo[5,1-a]isoquinoline

C34H23FN2S — CID 90297630

IUPAC5-cyclopropyl-8-fluoro-2-(5-naphthalen-1-ylthiophen-2-yl)-1-phenylpyrazolo[5,1-a]isoquinoline
SMILESFc1ccc2c(c1)cc(C1CC1)n1nc(-c3ccc(-c4cccc5ccccc45)s3)c(-c3ccccc3)c21
InChIInChI=1S/C34H23FN2S/c35-25-15-16-27-24(19-25)20-29(22-13-14-22)37-34(27)32(23-8-2-1-3-9-23)33(36-37)31-18-17-30(38-31)28-12-6-10-21-7-4-5-11-26(21)28/h1-12,15-20,22H,13-14H2
InChIKeyPHFVDNUPNXCQMH-UHFFFAOYSA-N
MW510.64 g/mol
LogP9.72
Rot. Bonds4

About 5-cyclopropyl-8-fluoro-2-(5-naphthalen-1-ylthiophen-2-yl)-1-phenylpyrazolo[5,1-a]isoquinoline

5-cyclopropyl-8-fluoro-2-(5-naphthalen-1-ylthiophen-2-yl)-1-phenylpyrazolo[5,1-a]isoquinoline (PubChem CID 90297630) has the molecular formula C34H23FN2S and a molecular weight of 510.64 g/mol. Its IUPAC name is 5-cyclopropyl-8-fluoro-2-(5-naphthalen-1-ylthiophen-2-yl)-1-phenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5-cyclopropyl-8-fluoro-2-(5-naphthalen-1-ylthiophen-2-yl)-1-phenylpyrazolo[5,1-a]isoquinoline
PubChem CID90297630
Molecular FormulaC34H23FN2S
Molecular Weight510.64 g/mol
Exact Mass510.16
IUPAC Name5-cyclopropyl-8-fluoro-2-(5-naphthalen-1-ylthiophen-2-yl)-1-phenylpyrazolo[5,1-a]isoquinoline
SMILESFc1ccc2c(c1)cc(C1CC1)n1nc(-c3ccc(-c4cccc5ccccc45)s3)c(-c3ccccc3)c21
InChIInChI=1S/C34H23FN2S/c35-25-15-16-27-24(19-25)20-29(22-13-14-22)37-34(27)32(23-8-2-1-3-9-23)33(36-37)31-18-17-30(38-31)28-12-6-10-21-7-4-5-11-26(21)28/h1-12,15-20,22H,13-14H2
InChIKeyPHFVDNUPNXCQMH-UHFFFAOYSA-N
XLogP9.72
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-1-dibenzothiophen-3-yl-8-fluoro-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline
CID 90297618
5-cyclopropyl-2-(4-diphenylphosphorylphenyl)-8-fluoro-1-phenylpyrazolo[5,1-a]isoquinoline
CID 90297609
5-cyclopropyl-1-(9,9-diphenylfluoren-2-yl)-8-fluoro-2-phenylpyrazolo[5,1-a]isoquinoline
CID 90297617
5-cyclopropyl-8,9-dimethoxy-2-naphthalen-1-yl-1-(3-phenylphenyl)pyrazolo[5,1-a]isoquinoline
CID 90297405
N-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 90297166
5-cyclopropyl-1-dibenzothiophen-3-yl-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline
CID 90297173
2-naphthalen-1-yl-5-[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 14929397
1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297270
2-(3-methylphenyl)-5-naphthalen-1-ylthiophene
CID 59500404
2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 90297803
2-[4-[4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 164927797
2,5-dinaphthalen-1-yl-3,4-diphenylthiophene
CID 23626359

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-8-fluoro-2-(5-naphthalen-1-ylthiophen-2-yl)-1-phenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 5-cyclopropyl-8-fluoro-2-(5-naphthalen-1-ylthiophen-2-yl)-1-phenylpyrazolo[5,1-a]isoquinoline (CID 90297630) is 5-cyclopropyl-8-fluoro-2-(5-naphthalen-1-ylthiophen-2-yl)-1-phenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5-cyclopropyl-8-fluoro-2-(5-naphthalen-1-ylthiophen-2-yl)-1-phenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 5-cyclopropyl-8-fluoro-2-(5-naphthalen-1-ylthiophen-2-yl)-1-phenylpyrazolo[5,1-a]isoquinoline is Fc1ccc2c(c1)cc(C1CC1)n1nc(-c3ccc(-c4cccc5ccccc45)s3)c(-c3ccccc3)c21.
What is the InChIKey of 5-cyclopropyl-8-fluoro-2-(5-naphthalen-1-ylthiophen-2-yl)-1-phenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is PHFVDNUPNXCQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23FN2S/c35-25-15-16-27-24(19-25)20-29(22-13-14-22)37-34(27)32(23-8-2-1-3-9-23)33(36-37)31-18-17-30(38-31)28-12-6-10-21-7-4-5-11-26(21)28/h1-12,15-20,22H,13-14H2.
What are the key properties of 5-cyclopropyl-8-fluoro-2-(5-naphthalen-1-ylthiophen-2-yl)-1-phenylpyrazolo[5,1-a]isoquinoline?
5-cyclopropyl-8-fluoro-2-(5-naphthalen-1-ylthiophen-2-yl)-1-phenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 510.64 g/mol, XLogP of 9.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-8-fluoro-2-(5-naphthalen-1-ylthiophen-2-yl)-1-phenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).