N-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

C46H33N3 — CID 90297166

IUPACN-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3)nn3c(C4CC4)cc4ccccc4c23)cc1
InChIInChI=1S/C46H33N3/c1-2-14-34(15-3-1)44-45(47-49-43(33-24-25-33)30-36-16-6-9-21-40(36)46(44)49)35-26-28-37(29-27-35)48(41-22-10-17-31-12-4-7-19-38(31)41)42-23-11-18-32-13-5-8-20-39(32)42/h1-23,26-30,33H,24-25H2
InChIKeyKIDVWYJXBXHHMW-UHFFFAOYSA-N
MW627.79 g/mol
LogP12.48
Rot. Bonds6

About N-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

N-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (PubChem CID 90297166) has the molecular formula C46H33N3 and a molecular weight of 627.79 g/mol. Its IUPAC name is N-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
PubChem CID90297166
Molecular FormulaC46H33N3
Molecular Weight627.79 g/mol
Exact Mass627.27
IUPAC NameN-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3)nn3c(C4CC4)cc4ccccc4c23)cc1
InChIInChI=1S/C46H33N3/c1-2-14-34(15-3-1)44-45(47-49-43(33-24-25-33)30-36-16-6-9-21-40(36)46(44)49)35-26-28-37(29-27-35)48(41-22-10-17-31-12-4-7-19-38(31)41)42-23-11-18-32-13-5-8-20-39(32)42/h1-23,26-30,33H,24-25H2
InChIKeyKIDVWYJXBXHHMW-UHFFFAOYSA-N
XLogP12.48
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-2-yl)-N,N-diphenylaniline
CID 90297341
N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine
CID 167353084
5-cyclopropyl-8,9-dimethoxy-2-naphthalen-1-yl-1-(3-phenylphenyl)pyrazolo[5,1-a]isoquinoline
CID 90297405
N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine
CID 167353023
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939957
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
CID 167353026
N,1,2,5-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine
CID 167353037
N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 159269643
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353071
2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-naphthalen-1-ylphenyl)-1,6-diphenylnaphthalene-2,7-diamine
CID 159188503
1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine
CID 167352902
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The IUPAC name of N-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (CID 90297166) is N-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.
What is the SMILES notation for N-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The canonical SMILES for N-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is c1ccc(-c2c(-c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3)nn3c(C4CC4)cc4ccccc4c23)cc1.
What is the InChIKey of N-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The InChIKey is KIDVWYJXBXHHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3/c1-2-14-34(15-3-1)44-45(47-49-43(33-24-25-33)30-36-16-6-9-21-40(36)46(44)49)35-26-28-37(29-27-35)48(41-22-10-17-31-12-4-7-19-38(31)41)42-23-11-18-32-13-5-8-20-39(32)42/h1-23,26-30,33H,24-25H2.
What are the key properties of N-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
N-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine has a molecular weight of 627.79 g/mol, XLogP of 12.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is sourced from PubChem (CID 90297166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).