4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;2-bromopyrimidine;bis(6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-2-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride

C78H62BrCl4N15O3 — CID 158329586

About 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;2-bromopyrimidine;bis(6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-2-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride

4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;2-bromopyrimidine;bis(6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-2-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride (PubChem CID 158329586) has the molecular formula C78H62BrCl4N15O3 and a molecular weight of 1479.17 g/mol. Its IUPAC name is 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;2-bromopyrimidine;bis(6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-2-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride.

Molecular Properties

• Compound Name: 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;2-bromopyrimidine;bis(6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-2-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride
• PubChem CID: 158329586
• Molecular Formula: C78H62BrCl4N15O3
• Molecular Weight: 1479.17 g/mol
• Exact Mass: 1475.31
• IUPAC Name: 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;2-bromopyrimidine;bis(6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-2-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride
• SMILES: Brc1ncccn1.Cl.Nc1cccc(Cn2c(-c3ccc(O)cc3)ccc2-c2ccccc2Cl)n1.Nc1cccc(Cn2c(-c3ccc(Oc4ncccn4)cc3)ccc2-c2ccccc2Cl)n1.Nc1cccc(Cn2c(-c3ccc(Oc4ncccn4)cc3)ccc2-c2ccccc2Cl)n1
• InChI: InChI=1S/2C26H20ClN5O.C22H18ClN3O.C4H3BrN2.ClH/c2*27-22-7-2-1-6-21(22)24-14-13-23(32(24)17-19-5-3-8-25(28)31-19)18-9-11-20(12-10-18)33-26-29-15-4-16-30-26;23-19-6-2-1-5-18(19)21-13-12-20(15-8-10-17(27)11-9-15)26(21)14-16-4-3-7-22(24)25-16;5-4-6-2-1-3-7-4;/h2*1-16H,17H2,(H2,28,31);1-13,27H,14H2,(H2,24,25);1-3H;1H
• InChIKey: YOAPIUBHJVUJEH-UHFFFAOYSA-N
• XLogP: 19.03
• TPSA: 247.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1479.17
LogP ≤ 5	19.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;2-bromopyrimidine;bis(6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-2-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride?

The IUPAC name of 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;2-bromopyrimidine;bis(6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-2-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride (CID 158329586) is 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;2-bromopyrimidine;bis(6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-2-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride.

What is the SMILES notation for 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;2-bromopyrimidine;bis(6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-2-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride?

The canonical SMILES for 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;2-bromopyrimidine;bis(6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-2-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride is Brc1ncccn1.Cl.Nc1cccc(Cn2c(-c3ccc(O)cc3)ccc2-c2ccccc2Cl)n1.Nc1cccc(Cn2c(-c3ccc(Oc4ncccn4)cc3)ccc2-c2ccccc2Cl)n1.Nc1cccc(Cn2c(-c3ccc(Oc4ncccn4)cc3)ccc2-c2ccccc2Cl)n1.

What is the InChIKey of 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;2-bromopyrimidine;bis(6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-2-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride?

The InChIKey is YOAPIUBHJVUJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H20ClN5O.C22H18ClN3O.C4H3BrN2.ClH/c2*27-22-7-2-1-6-21(22)24-14-13-23(32(24)17-19-5-3-8-25(28)31-19)18-9-11-20(12-10-18)33-26-29-15-4-16-30-26;23-19-6-2-1-5-18(19)21-13-12-20(15-8-10-17(27)11-9-15)26(21)14-16-4-3-7-22(24)25-16;5-4-6-2-1-3-7-4;/h2*1-16H,17H2,(H2,28,31);1-13,27H,14H2,(H2,24,25);1-3H;1H.

What are the key properties of 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;2-bromopyrimidine;bis(6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-2-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride?

4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;2-bromopyrimidine;bis(6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-2-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride has a molecular weight of 1479.17 g/mol, XLogP of 19.03, 16 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;2-bromopyrimidine;bis(6-[[2-(2-chlorophenyl)-5-(4-pyrimidin-2-yloxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine);hydrochloride is sourced from PubChem (CID 158329586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).