2-(3,4-dichlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide

C24H20Cl2N4O2 — CID 121231308

IUPAC2-(3,4-dichlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3ccc(Cl)c(Cl)c3)c2)c2cnccc21
InChIInChI=1S/C24H20Cl2N4O2/c1-14(2)30-13-18(17-12-27-7-6-21(17)30)24(32)16-5-8-28-22(11-16)29-23(31)10-15-3-4-19(25)20(26)9-15/h3-9,11-14H,10H2,1-2H3,(H,28,29,31)
InChIKeyCKEMEUMJIGAROU-UHFFFAOYSA-N
MW467.36 g/mol
LogP5.73
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide

2-(3,4-dichlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide (PubChem CID 121231308) has the molecular formula C24H20Cl2N4O2 and a molecular weight of 467.36 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide
PubChem CID121231308
Molecular FormulaC24H20Cl2N4O2
Molecular Weight467.36 g/mol
Exact Mass466.10
IUPAC Name2-(3,4-dichlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3ccc(Cl)c(Cl)c3)c2)c2cnccc21
InChIInChI=1S/C24H20Cl2N4O2/c1-14(2)30-13-18(17-12-27-7-6-21(17)30)24(32)16-5-8-28-22(11-16)29-23(31)10-15-3-4-19(25)20(26)9-15/h3-9,11-14H,10H2,1-2H3,(H,28,29,31)
InChIKeyCKEMEUMJIGAROU-UHFFFAOYSA-N
XLogP5.73
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide (CID 121231308) is 2-(3,4-dichlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide is CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3ccc(Cl)c(Cl)c3)c2)c2cnccc21.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide?
The InChIKey is CKEMEUMJIGAROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O2/c1-14(2)30-13-18(17-12-27-7-6-21(17)30)24(32)16-5-8-28-22(11-16)29-23(31)10-15-3-4-19(25)20(26)9-15/h3-9,11-14H,10H2,1-2H3,(H,28,29,31).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide?
2-(3,4-dichlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide has a molecular weight of 467.36 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 121231308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).