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

C24H23ClFN5 — CID 86294533

IUPAC5-chloro-N-[(2-fluorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESFc1ccccc1CNc1ccc(Cl)c(-c2ccnc3[nH]c(C4CCNCC4)cc23)n1
InChIInChI=1S/C24H23ClFN5/c25-19-5-6-22(29-14-16-3-1-2-4-20(16)26)31-23(19)17-9-12-28-24-18(17)13-21(30-24)15-7-10-27-11-8-15/h1-6,9,12-13,15,27H,7-8,10-11,14H2,(H,28,30)(H,29,31)
InChIKeyRVIDFWRHDDLNKW-UHFFFAOYSA-N
MW435.93 g/mol
LogP5.50
Rot. Bonds5

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

5-chloro-N-[(2-fluorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (PubChem CID 86294533) has the molecular formula C24H23ClFN5 and a molecular weight of 435.93 g/mol. Its IUPAC name is 5-chloro-N-[(2-fluorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-fluorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
PubChem CID86294533
Molecular FormulaC24H23ClFN5
Molecular Weight435.93 g/mol
Exact Mass435.16
IUPAC Name5-chloro-N-[(2-fluorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESFc1ccccc1CNc1ccc(Cl)c(-c2ccnc3[nH]c(C4CCNCC4)cc23)n1
InChIInChI=1S/C24H23ClFN5/c25-19-5-6-22(29-14-16-3-1-2-4-20(16)26)31-23(19)17-9-12-28-24-18(17)13-21(30-24)15-7-10-27-11-8-15/h1-6,9,12-13,15,27H,7-8,10-11,14H2,(H,28,30)(H,29,31)
InChIKeyRVIDFWRHDDLNKW-UHFFFAOYSA-N
XLogP5.50
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.93
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-fluorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(2-fluorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (CID 86294533) is 5-chloro-N-[(2-fluorophenyl)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-[(2-fluorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(2-fluorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is Fc1ccccc1CNc1ccc(Cl)c(-c2ccnc3[nH]c(C4CCNCC4)cc23)n1.
What is the InChIKey of 5-chloro-N-[(2-fluorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The InChIKey is RVIDFWRHDDLNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5/c25-19-5-6-22(29-14-16-3-1-2-4-20(16)26)31-23(19)17-9-12-28-24-18(17)13-21(30-24)15-7-10-27-11-8-15/h1-6,9,12-13,15,27H,7-8,10-11,14H2,(H,28,30)(H,29,31).
What are the key properties of 5-chloro-N-[(2-fluorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
5-chloro-N-[(2-fluorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine has a molecular weight of 435.93 g/mol, XLogP of 5.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-fluorophenyl)methyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is sourced from PubChem (CID 86294533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).