4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine

C45H38Cl2N6O2 — CID 159055473

IUPAC4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
SMILESCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1.Nc1cccc(Cn2c(-c3ccc(O)cc3)ccc2-c2ccccc2Cl)n1
InChIInChI=1S/C23H20ClN3O.C22H18ClN3O/c1-28-18-11-9-16(10-12-18)21-13-14-22(19-6-2-3-7-20(19)24)27(21)15-17-5-4-8-23(25)26-17;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/h2-14H,15H2,1H3,(H2,25,26);1-13,27H,14H2,(H2,24,25)
InChIKeyJXUMLVTYZGETDK-UHFFFAOYSA-N
MW765.75 g/mol
LogP10.72
Rot. Bonds9

About 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine

4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine (PubChem CID 159055473) has the molecular formula C45H38Cl2N6O2 and a molecular weight of 765.75 g/mol. Its IUPAC name is 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
PubChem CID159055473
Molecular FormulaC45H38Cl2N6O2
Molecular Weight765.75 g/mol
Exact Mass764.24
IUPAC Name4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
SMILESCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1.Nc1cccc(Cn2c(-c3ccc(O)cc3)ccc2-c2ccccc2Cl)n1
InChIInChI=1S/C23H20ClN3O.C22H18ClN3O/c1-28-18-11-9-16(10-12-18)21-13-14-22(19-6-2-3-7-20(19)24)27(21)15-17-5-4-8-23(25)26-17;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/h2-14H,15H2,1H3,(H2,25,26);1-13,27H,14H2,(H2,24,25)
InChIKeyJXUMLVTYZGETDK-UHFFFAOYSA-N
XLogP10.72
TPSA117.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.75
LogP ≤ 510.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine with MolForge

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Related Compounds

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
3-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-3-ylamino)propan-1-ol
CID 11620576
2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-3-ylamino)ethanol
CID 11684817
6-((2-(2-chlorophenyl)-5-(4-(pyridin-2-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
CID 46884524
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
6-((2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
CID 11676068
3-[[2-Amino-6-[[2-(2-chlorophenyl)-5-(4-pentoxyphenyl)pyrrol-1-yl]methyl]-3-pyridinyl]oxy]propan-1-ol
CID 11627762
6-[[2-(2-Chlorophenyl)-5-(4-hexoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
CID 11684016

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine (CID 159055473) is 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine is COc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1.Nc1cccc(Cn2c(-c3ccc(O)cc3)ccc2-c2ccccc2Cl)n1.
What is the InChIKey of 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The InChIKey is JXUMLVTYZGETDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O.C22H18ClN3O/c1-28-18-11-9-16(10-12-18)21-13-14-22(19-6-2-3-7-20(19)24)27(21)15-17-5-4-8-23(25)26-17;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/h2-14H,15H2,1H3,(H2,25,26);1-13,27H,14H2,(H2,24,25).
What are the key properties of 4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenol;6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine has a molecular weight of 765.75 g/mol, XLogP of 10.72, 9 rotatable bonds, 3 hydrogen bond donors, and 8 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;6-[[2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 159055473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).