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

C24H24N6O2 — CID 121231195

IUPAC2-(3-cyclopropylpyrazol-1-yl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cnccc21
InChIInChI=1S/C24H24N6O2/c1-15(2)30-13-20(19-12-25-7-5-22(19)30)24(32)17-9-18(11-26-10-17)27-23(31)14-29-8-6-21(28-29)16-3-4-16/h5-13,15-16H,3-4,14H2,1-2H3,(H,27,31)
InChIKeyUEXYLQPMBYMXCX-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.96
Rot. Bonds7

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

2-(3-cyclopropylpyrazol-1-yl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide (PubChem CID 121231195) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-(3-cyclopropylpyrazol-1-yl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropylpyrazol-1-yl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide
PubChem CID121231195
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name2-(3-cyclopropylpyrazol-1-yl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cnccc21
InChIInChI=1S/C24H24N6O2/c1-15(2)30-13-20(19-12-25-7-5-22(19)30)24(32)17-9-18(11-26-10-17)27-23(31)14-29-8-6-21(28-29)16-3-4-16/h5-13,15-16H,3-4,14H2,1-2H3,(H,27,31)
InChIKeyUEXYLQPMBYMXCX-UHFFFAOYSA-N
XLogP3.96
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide (CID 121231195) is 2-(3-cyclopropylpyrazol-1-yl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropylpyrazol-1-yl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(3-cyclopropylpyrazol-1-yl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cnccc21.
What is the InChIKey of 2-(3-cyclopropylpyrazol-1-yl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is UEXYLQPMBYMXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-15(2)30-13-20(19-12-25-7-5-22(19)30)24(32)17-9-18(11-26-10-17)27-23(31)14-29-8-6-21(28-29)16-3-4-16/h5-13,15-16H,3-4,14H2,1-2H3,(H,27,31).
What are the key properties of 2-(3-cyclopropylpyrazol-1-yl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
2-(3-cyclopropylpyrazol-1-yl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 428.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylpyrazol-1-yl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 121231195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).