6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine

C26H20ClN5 — CID 11655048

IUPAC6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
SMILESNc1cccc(Cn2c(-c3ccc(-c4cncnc4)cc3)ccc2-c2ccccc2Cl)n1
InChIInChI=1S/C26H20ClN5/c27-23-6-2-1-5-22(23)25-13-12-24(32(25)16-21-4-3-7-26(28)31-21)19-10-8-18(9-11-19)20-14-29-17-30-15-20/h1-15,17H,16H2,(H2,28,31)
InChIKeyPMZQNDOBEIACEE-UHFFFAOYSA-N
MW437.93 g/mol
LogP5.96
Rot. Bonds5

About 6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine

6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine (PubChem CID 11655048) has the molecular formula C26H20ClN5 and a molecular weight of 437.93 g/mol. Its IUPAC name is 6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
PubChem CID11655048
Molecular FormulaC26H20ClN5
Molecular Weight437.93 g/mol
Exact Mass437.14
IUPAC Name6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
SMILESNc1cccc(Cn2c(-c3ccc(-c4cncnc4)cc3)ccc2-c2ccccc2Cl)n1
InChIInChI=1S/C26H20ClN5/c27-23-6-2-1-5-22(23)25-13-12-24(32(25)16-21-4-3-7-26(28)31-21)19-10-8-18(9-11-19)20-14-29-17-30-15-20/h1-15,17H,16H2,(H2,28,31)
InChIKeyPMZQNDOBEIACEE-UHFFFAOYSA-N
XLogP5.96
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.93
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine (CID 11655048) is 6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine is Nc1cccc(Cn2c(-c3ccc(-c4cncnc4)cc3)ccc2-c2ccccc2Cl)n1.
What is the InChIKey of 6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The InChIKey is PMZQNDOBEIACEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN5/c27-23-6-2-1-5-22(23)25-13-12-24(32(25)16-21-4-3-7-26(28)31-21)19-10-8-18(9-11-19)20-14-29-17-30-15-20/h1-15,17H,16H2,(H2,28,31).
What are the key properties of 6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine has a molecular weight of 437.93 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-5-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 11655048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).