2-(3-cyclopropylpyrazol-1-yl)-N-[5-(7-fluoro-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide

C24H23FN6O2 — CID 121231246

IUPAC2-(3-cyclopropylpyrazol-1-yl)-N-[5-(7-fluoro-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)c2cncc(F)c21
InChIInChI=1S/C24H23FN6O2/c1-14(2)31-12-19(18-10-27-11-20(25)23(18)31)24(33)16-7-17(9-26-8-16)28-22(32)13-30-6-5-21(29-30)15-3-4-15/h5-12,14-15H,3-4,13H2,1-2H3,(H,28,32)
InChIKeyKBBXMARUHDVNOM-UHFFFAOYSA-N
MW446.49 g/mol
LogP4.09
Rot. Bonds7

About 2-(3-cyclopropylpyrazol-1-yl)-N-[5-(7-fluoro-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide

2-(3-cyclopropylpyrazol-1-yl)-N-[5-(7-fluoro-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide (PubChem CID 121231246) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 2-(3-cyclopropylpyrazol-1-yl)-N-[5-(7-fluoro-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropylpyrazol-1-yl)-N-[5-(7-fluoro-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide
PubChem CID121231246
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name2-(3-cyclopropylpyrazol-1-yl)-N-[5-(7-fluoro-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)c2cncc(F)c21
InChIInChI=1S/C24H23FN6O2/c1-14(2)31-12-19(18-10-27-11-20(25)23(18)31)24(33)16-7-17(9-26-8-16)28-22(32)13-30-6-5-21(29-30)15-3-4-15/h5-12,14-15H,3-4,13H2,1-2H3,(H,28,32)
InChIKeyKBBXMARUHDVNOM-UHFFFAOYSA-N
XLogP4.09
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 54.09
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-(7-fluoro-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-N-[5-(7-fluoro-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide (CID 121231246) is 2-(3-cyclopropylpyrazol-1-yl)-N-[5-(7-fluoro-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-(7-fluoro-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(3-cyclopropylpyrazol-1-yl)-N-[5-(7-fluoro-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)c2cncc(F)c21.
What is the InChIKey of 2-(3-cyclopropylpyrazol-1-yl)-N-[5-(7-fluoro-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is KBBXMARUHDVNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-14(2)31-12-19(18-10-27-11-20(25)23(18)31)24(33)16-7-17(9-26-8-16)28-22(32)13-30-6-5-21(29-30)15-3-4-15/h5-12,14-15H,3-4,13H2,1-2H3,(H,28,32).
What are the key properties of 2-(3-cyclopropylpyrazol-1-yl)-N-[5-(7-fluoro-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
2-(3-cyclopropylpyrazol-1-yl)-N-[5-(7-fluoro-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 446.49 g/mol, XLogP of 4.09, 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-(7-fluoro-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 121231246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).