9-pyridin-2-yl-2-[[2-(2,3,4-trimethylphenyl)-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]carbazole

C43H37N5O — CID 155675533

IUPAC9-pyridin-2-yl-2-[[2-(2,3,4-trimethylphenyl)-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]carbazole
SMILESCc1ccc(-c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(-n3ccc(-c4ccc(C)c(C)c4C)n3)n2)c(C)c1C
InChIInChI=1S/C43H37N5O/c1-26-14-17-34(30(5)28(26)3)38-20-22-47(46-38)43-25-33(23-39(45-43)35-18-15-27(2)29(4)31(35)6)49-32-16-19-37-36-11-7-8-12-40(36)48(41(37)24-32)42-13-9-10-21-44-42/h7-25H,1-6H3
InChIKeyAALUEVLGBILRBT-UHFFFAOYSA-N
MW639.80 g/mol
LogP10.74
Rot. Bonds6

About 9-pyridin-2-yl-2-[[2-(2,3,4-trimethylphenyl)-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]carbazole

9-pyridin-2-yl-2-[[2-(2,3,4-trimethylphenyl)-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]carbazole (PubChem CID 155675533) has the molecular formula C43H37N5O and a molecular weight of 639.80 g/mol. Its IUPAC name is 9-pyridin-2-yl-2-[[2-(2,3,4-trimethylphenyl)-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]carbazole.

Molecular Properties

Compound Name9-pyridin-2-yl-2-[[2-(2,3,4-trimethylphenyl)-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]carbazole
PubChem CID155675533
Molecular FormulaC43H37N5O
Molecular Weight639.80 g/mol
Exact Mass639.30
IUPAC Name9-pyridin-2-yl-2-[[2-(2,3,4-trimethylphenyl)-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]carbazole
SMILESCc1ccc(-c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(-n3ccc(-c4ccc(C)c(C)c4C)n3)n2)c(C)c1C
InChIInChI=1S/C43H37N5O/c1-26-14-17-34(30(5)28(26)3)38-20-22-47(46-38)43-25-33(23-39(45-43)35-18-15-27(2)29(4)31(35)6)49-32-16-19-37-36-11-7-8-12-40(36)48(41(37)24-32)42-13-9-10-21-44-42/h7-25H,1-6H3
InChIKeyAALUEVLGBILRBT-UHFFFAOYSA-N
XLogP10.74
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
6-(2-Fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 162659515
5-[(3-Cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole
CID 86766337
US10954240, Example 42
CID 118930246
US10954240, Example 43
CID 118930247
6-Methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
CID 121224994
7-[5-[(2-Ethyl-4-piperazin-1-ylquinolin-7-yl)oxymethyl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304015
7-[[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-(cyclopropylmethyl)-2-ethyl-N-methylquinolin-4-amine
CID 156304016
7-[[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-2-ethyl-N,N-dimethylquinolin-4-amine
CID 156304042
5-(1-Methylpyrazol-3-yl)-7-[5-[[2-(oxan-4-yl)quinolin-7-yl]oxymethyl]-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304043
7-[5-[[2-(4-Methylpiperazin-1-yl)quinolin-7-yl]oxymethyl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304068
7-[5-[(2-Ethylquinolin-7-yl)oxymethyl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304082

Frequently Asked Questions

What is the IUPAC name of 9-pyridin-2-yl-2-[[2-(2,3,4-trimethylphenyl)-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]carbazole?
The IUPAC name of 9-pyridin-2-yl-2-[[2-(2,3,4-trimethylphenyl)-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]carbazole (CID 155675533) is 9-pyridin-2-yl-2-[[2-(2,3,4-trimethylphenyl)-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]carbazole.
What is the SMILES notation for 9-pyridin-2-yl-2-[[2-(2,3,4-trimethylphenyl)-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]carbazole?
The canonical SMILES for 9-pyridin-2-yl-2-[[2-(2,3,4-trimethylphenyl)-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]carbazole is Cc1ccc(-c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(-n3ccc(-c4ccc(C)c(C)c4C)n3)n2)c(C)c1C.
What is the InChIKey of 9-pyridin-2-yl-2-[[2-(2,3,4-trimethylphenyl)-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]carbazole?
The InChIKey is AALUEVLGBILRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37N5O/c1-26-14-17-34(30(5)28(26)3)38-20-22-47(46-38)43-25-33(23-39(45-43)35-18-15-27(2)29(4)31(35)6)49-32-16-19-37-36-11-7-8-12-40(36)48(41(37)24-32)42-13-9-10-21-44-42/h7-25H,1-6H3.
What are the key properties of 9-pyridin-2-yl-2-[[2-(2,3,4-trimethylphenyl)-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]carbazole?
9-pyridin-2-yl-2-[[2-(2,3,4-trimethylphenyl)-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]carbazole has a molecular weight of 639.80 g/mol, XLogP of 10.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-2-yl-2-[[2-(2,3,4-trimethylphenyl)-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]carbazole is sourced from PubChem (CID 155675533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).