5-chloro-N-[(4-chlorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine

C24H23Cl2N5 — CID 86294530

IUPAC5-chloro-N-[(4-chlorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESClc1ccc(CNc2ccc(Cl)c(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)cc1
InChIInChI=1S/C24H23Cl2N5/c25-17-3-1-15(2-4-17)14-29-22-6-5-20(26)23(31-22)18-9-12-28-24-19(18)13-21(30-24)16-7-10-27-11-8-16/h1-6,9,12-13,16,27H,7-8,10-11,14H2,(H,28,30)(H,29,31)
InChIKeyRWJDKWGWJJVDJB-UHFFFAOYSA-N
MW452.39 g/mol
LogP6.01
Rot. Bonds5

About 5-chloro-N-[(4-chlorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine

5-chloro-N-[(4-chlorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (PubChem CID 86294530) has the molecular formula C24H23Cl2N5 and a molecular weight of 452.39 g/mol. Its IUPAC name is 5-chloro-N-[(4-chlorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-chlorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
PubChem CID86294530
Molecular FormulaC24H23Cl2N5
Molecular Weight452.39 g/mol
Exact Mass451.13
IUPAC Name5-chloro-N-[(4-chlorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESClc1ccc(CNc2ccc(Cl)c(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)cc1
InChIInChI=1S/C24H23Cl2N5/c25-17-3-1-15(2-4-17)14-29-22-6-5-20(26)23(31-22)18-9-12-28-24-19(18)13-21(30-24)16-7-10-27-11-8-16/h1-6,9,12-13,16,27H,7-8,10-11,14H2,(H,28,30)(H,29,31)
InChIKeyRWJDKWGWJJVDJB-UHFFFAOYSA-N
XLogP6.01
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.39
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-chlorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(4-chlorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (CID 86294530) is 5-chloro-N-[(4-chlorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(4-chlorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(4-chlorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is Clc1ccc(CNc2ccc(Cl)c(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)cc1.
What is the InChIKey of 5-chloro-N-[(4-chlorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The InChIKey is RWJDKWGWJJVDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5/c25-17-3-1-15(2-4-17)14-29-22-6-5-20(26)23(31-22)18-9-12-28-24-19(18)13-21(30-24)16-7-10-27-11-8-16/h1-6,9,12-13,16,27H,7-8,10-11,14H2,(H,28,30)(H,29,31).
What are the key properties of 5-chloro-N-[(4-chlorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
5-chloro-N-[(4-chlorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine has a molecular weight of 452.39 g/mol, XLogP of 6.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-chlorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is sourced from PubChem (CID 86294530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).