3-(3,6-dicyclohexylcarbazol-9-yl)pyrazolo[1,5-a]quinoline

C35H35N3 — CID 129040238

IUPAC3-(3,6-dicyclohexylcarbazol-9-yl)pyrazolo[1,5-a]quinoline
SMILESc1ccc2c(c1)ccc1c(-n3c4ccc(C5CCCCC5)cc4c4cc(C5CCCCC5)ccc43)cnn12
InChIInChI=1S/C35H35N3/c1-3-9-24(10-4-1)27-16-18-32-29(21-27)30-22-28(25-11-5-2-6-12-25)17-19-33(30)37(32)35-23-36-38-31-14-8-7-13-26(31)15-20-34(35)38/h7-8,13-25H,1-6,9-12H2
InChIKeyNFLUUIMMNACPGC-UHFFFAOYSA-N
MW497.69 g/mol
LogP9.68
Rot. Bonds3

About 3-(3,6-dicyclohexylcarbazol-9-yl)pyrazolo[1,5-a]quinoline

3-(3,6-dicyclohexylcarbazol-9-yl)pyrazolo[1,5-a]quinoline (PubChem CID 129040238) has the molecular formula C35H35N3 and a molecular weight of 497.69 g/mol. Its IUPAC name is 3-(3,6-dicyclohexylcarbazol-9-yl)pyrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name3-(3,6-dicyclohexylcarbazol-9-yl)pyrazolo[1,5-a]quinoline
PubChem CID129040238
Molecular FormulaC35H35N3
Molecular Weight497.69 g/mol
Exact Mass497.28
IUPAC Name3-(3,6-dicyclohexylcarbazol-9-yl)pyrazolo[1,5-a]quinoline
SMILESc1ccc2c(c1)ccc1c(-n3c4ccc(C5CCCCC5)cc4c4cc(C5CCCCC5)ccc43)cnn12
InChIInChI=1S/C35H35N3/c1-3-9-24(10-4-1)27-16-18-32-29(21-27)30-22-28(25-11-5-2-6-12-25)17-19-33(30)37(32)35-23-36-38-31-14-8-7-13-26(31)15-20-34(35)38/h7-8,13-25H,1-6,9-12H2
InChIKeyNFLUUIMMNACPGC-UHFFFAOYSA-N
XLogP9.68
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.69
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 10019811
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
CID 71508713
4-[6-[4-(1-Piperazinyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 44223297
1-Methyl-8-(2-methyl-4-pyridinyl)triazolo[4,5-c]quinoline
CID 137649413
US10174024, Example 77
CID 122689894
3-(1-Methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)-1-pyridin-4-ylindole
CID 71508682
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole
CID 71508683
3-(1-Methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylindole
CID 71508684
6-[[6-(1-Methylpyrazol-4-yl)indazol-1-yl]methyl]quinoline
CID 71739682
8-(2-methyl-4-pyridinyl)-1-[(1R)-1-phenylethyl]triazolo[4,5-c]quinoline
CID 137633791
8-(2-Methyl-4-pyridinyl)-1-propan-2-yltriazolo[4,5-c]quinoline
CID 137633859

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dicyclohexylcarbazol-9-yl)pyrazolo[1,5-a]quinoline?
The IUPAC name of 3-(3,6-dicyclohexylcarbazol-9-yl)pyrazolo[1,5-a]quinoline (CID 129040238) is 3-(3,6-dicyclohexylcarbazol-9-yl)pyrazolo[1,5-a]quinoline.
What is the SMILES notation for 3-(3,6-dicyclohexylcarbazol-9-yl)pyrazolo[1,5-a]quinoline?
The canonical SMILES for 3-(3,6-dicyclohexylcarbazol-9-yl)pyrazolo[1,5-a]quinoline is c1ccc2c(c1)ccc1c(-n3c4ccc(C5CCCCC5)cc4c4cc(C5CCCCC5)ccc43)cnn12.
What is the InChIKey of 3-(3,6-dicyclohexylcarbazol-9-yl)pyrazolo[1,5-a]quinoline?
The InChIKey is NFLUUIMMNACPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N3/c1-3-9-24(10-4-1)27-16-18-32-29(21-27)30-22-28(25-11-5-2-6-12-25)17-19-33(30)37(32)35-23-36-38-31-14-8-7-13-26(31)15-20-34(35)38/h7-8,13-25H,1-6,9-12H2.
What are the key properties of 3-(3,6-dicyclohexylcarbazol-9-yl)pyrazolo[1,5-a]quinoline?
3-(3,6-dicyclohexylcarbazol-9-yl)pyrazolo[1,5-a]quinoline has a molecular weight of 497.69 g/mol, XLogP of 9.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dicyclohexylcarbazol-9-yl)pyrazolo[1,5-a]quinoline is sourced from PubChem (CID 129040238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).