2-(5-chloro-2-pyridinyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide

C23H20ClN5O2 — CID 121231191

IUPAC2-(5-chloro-2-pyridinyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnccc21
InChIInChI=1S/C23H20ClN5O2/c1-14(2)29-13-20(19-12-25-6-5-21(19)29)23(31)15-7-18(11-26-9-15)28-22(30)8-17-4-3-16(24)10-27-17/h3-7,9-14H,8H2,1-2H3,(H,28,30)
InChIKeyQFJPWXACKAVTHP-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.47
Rot. Bonds6

About 2-(5-chloro-2-pyridinyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide

2-(5-chloro-2-pyridinyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide (PubChem CID 121231191) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide
PubChem CID121231191
Molecular FormulaC23H20ClN5O2
Molecular Weight433.90 g/mol
Exact Mass433.13
IUPAC Name2-(5-chloro-2-pyridinyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnccc21
InChIInChI=1S/C23H20ClN5O2/c1-14(2)29-13-20(19-12-25-6-5-21(19)29)23(31)15-7-18(11-26-9-15)28-22(30)8-17-4-3-16(24)10-27-17/h3-7,9-14H,8H2,1-2H3,(H,28,30)
InChIKeyQFJPWXACKAVTHP-UHFFFAOYSA-N
XLogP4.47
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide (CID 121231191) is 2-(5-chloro-2-pyridinyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnccc21.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is QFJPWXACKAVTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c1-14(2)29-13-20(19-12-25-6-5-21(19)29)23(31)15-7-18(11-26-9-15)28-22(30)8-17-4-3-16(24)10-27-17/h3-7,9-14H,8H2,1-2H3,(H,28,30).
What are the key properties of 2-(5-chloro-2-pyridinyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
2-(5-chloro-2-pyridinyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 433.90 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 121231191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).