6-[[2-(2-chlorophenyl)-5-(4-pyridazin-3-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine

C26H20ClN5O — CID 11691007

IUPAC6-[[2-(2-chlorophenyl)-5-(4-pyridazin-3-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
SMILESNc1cccc(Cn2c(-c3ccc(Oc4cccnn4)cc3)ccc2-c2ccccc2Cl)n1
InChIInChI=1S/C26H20ClN5O/c27-22-7-2-1-6-21(22)24-15-14-23(32(24)17-19-5-3-8-25(28)30-19)18-10-12-20(13-11-18)33-26-9-4-16-29-31-26/h1-16H,17H2,(H2,28,30)
InChIKeyIHGJFCQIUZBLLX-UHFFFAOYSA-N
MW453.93 g/mol
LogP6.08
Rot. Bonds6

About 6-[[2-(2-chlorophenyl)-5-(4-pyridazin-3-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine

6-[[2-(2-chlorophenyl)-5-(4-pyridazin-3-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine (PubChem CID 11691007) has the molecular formula C26H20ClN5O and a molecular weight of 453.93 g/mol. Its IUPAC name is 6-[[2-(2-chlorophenyl)-5-(4-pyridazin-3-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[[2-(2-chlorophenyl)-5-(4-pyridazin-3-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
PubChem CID11691007
Molecular FormulaC26H20ClN5O
Molecular Weight453.93 g/mol
Exact Mass453.14
IUPAC Name6-[[2-(2-chlorophenyl)-5-(4-pyridazin-3-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
SMILESNc1cccc(Cn2c(-c3ccc(Oc4cccnn4)cc3)ccc2-c2ccccc2Cl)n1
InChIInChI=1S/C26H20ClN5O/c27-22-7-2-1-6-21(22)24-15-14-23(32(24)17-19-5-3-8-25(28)30-19)18-10-12-20(13-11-18)33-26-9-4-16-29-31-26/h1-16H,17H2,(H2,28,30)
InChIKeyIHGJFCQIUZBLLX-UHFFFAOYSA-N
XLogP6.08
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.93
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine
CID 11561538
4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl}phenoxy)butanenitrile
CID 11719190
6-[2-(2-Chlorophenyl)-5-(4-phenoxyphenyl)pyrrol-1-ylmethyl]pyridin-2-ylamine
CID 11532527
6-((2-(2-chlorophenyl)-5-(4-(pyridin-4-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
CID 11576068
6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
CID 11619220
6-((2-(2-chlorophenyl)-5-(4-(pyrazin-2-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
CID 11705141
6-((2-(2-chlorophenyl)-5-(4-(pyridin-3-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
CID 11719407
6-((2-(2-chlorophenyl)-5-(4-(pyridin-2-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
CID 46884524
3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine
CID 146185205
4-Chloro-6-[1-methyl-4-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyrimidin-2-amine
CID 166101864
6-((2-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
CID 11574638
6-((2-(4-butoxyphenyl)-5-(2-chlorophenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
CID 11647679

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-chlorophenyl)-5-(4-pyridazin-3-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-[[2-(2-chlorophenyl)-5-(4-pyridazin-3-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine (CID 11691007) is 6-[[2-(2-chlorophenyl)-5-(4-pyridazin-3-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-[[2-(2-chlorophenyl)-5-(4-pyridazin-3-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-[[2-(2-chlorophenyl)-5-(4-pyridazin-3-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine is Nc1cccc(Cn2c(-c3ccc(Oc4cccnn4)cc3)ccc2-c2ccccc2Cl)n1.
What is the InChIKey of 6-[[2-(2-chlorophenyl)-5-(4-pyridazin-3-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The InChIKey is IHGJFCQIUZBLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN5O/c27-22-7-2-1-6-21(22)24-15-14-23(32(24)17-19-5-3-8-25(28)30-19)18-10-12-20(13-11-18)33-26-9-4-16-29-31-26/h1-16H,17H2,(H2,28,30).
What are the key properties of 6-[[2-(2-chlorophenyl)-5-(4-pyridazin-3-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
6-[[2-(2-chlorophenyl)-5-(4-pyridazin-3-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine has a molecular weight of 453.93 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-chlorophenyl)-5-(4-pyridazin-3-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 11691007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).