[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

C25H23ClN4O — CID 90417698

IUPAC[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cc4ccncc4n3-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C25H23ClN4O/c1-28-12-14-29(15-13-28)25(31)19-4-2-18(3-5-19)23-16-20-10-11-27-17-24(20)30(23)22-8-6-21(26)7-9-22/h2-11,16-17H,12-15H2,1H3
InChIKeyYSIZASZRUABCCE-UHFFFAOYSA-N
MW430.94 g/mol
LogP4.73
Rot. Bonds3

About [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 90417698) has the molecular formula C25H23ClN4O and a molecular weight of 430.94 g/mol. Its IUPAC name is [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID90417698
Molecular FormulaC25H23ClN4O
Molecular Weight430.94 g/mol
Exact Mass430.16
IUPAC Name[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cc4ccncc4n3-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C25H23ClN4O/c1-28-12-14-29(15-13-28)25(31)19-4-2-18(3-5-19)23-16-20-10-11-27-17-24(20)30(23)22-8-6-21(26)7-9-22/h2-11,16-17H,12-15H2,1H3
InChIKeyYSIZASZRUABCCE-UHFFFAOYSA-N
XLogP4.73
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 90417698) is [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(-c3cc4ccncc4n3-c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YSIZASZRUABCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O/c1-28-12-14-29(15-13-28)25(31)19-4-2-18(3-5-19)23-16-20-10-11-27-17-24(20)30(23)22-8-6-21(26)7-9-22/h2-11,16-17H,12-15H2,1H3.
What are the key properties of [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 430.94 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 90417698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).