2,4-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide

C20H20Cl2N4O — CID 10971452

IUPAC2,4-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(Cl)cc4Cl)nc23)CC1
InChIInChI=1S/C20H20Cl2N4O/c1-26-8-6-12(7-9-26)15-11-23-17-4-5-18(24-19(15)17)25-20(27)14-3-2-13(21)10-16(14)22/h2-5,10-12,23H,6-9H2,1H3,(H,24,25,27)
InChIKeyQIDPSTINRHXLAQ-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.93
Rot. Bonds3

About 2,4-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide

2,4-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide (PubChem CID 10971452) has the molecular formula C20H20Cl2N4O and a molecular weight of 403.31 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
PubChem CID10971452
Molecular FormulaC20H20Cl2N4O
Molecular Weight403.31 g/mol
Exact Mass402.10
IUPAC Name2,4-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(Cl)cc4Cl)nc23)CC1
InChIInChI=1S/C20H20Cl2N4O/c1-26-8-6-12(7-9-26)15-11-23-17-4-5-18(24-19(15)17)25-20(27)14-3-2-13(21)10-16(14)22/h2-5,10-12,23H,6-9H2,1H3,(H,24,25,27)
InChIKeyQIDPSTINRHXLAQ-UHFFFAOYSA-N
XLogP4.93
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide (CID 10971452) is 2,4-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide is CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(Cl)cc4Cl)nc23)CC1.
What is the InChIKey of 2,4-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
The InChIKey is QIDPSTINRHXLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O/c1-26-8-6-12(7-9-26)15-11-23-17-4-5-18(24-19(15)17)25-20(27)14-3-2-13(21)10-16(14)22/h2-5,10-12,23H,6-9H2,1H3,(H,24,25,27).
What are the key properties of 2,4-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
2,4-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide has a molecular weight of 403.31 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 10971452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).