3-bromo-N-(5-fluoro-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide

C16H14BrFN4O — CID 90175888

IUPAC3-bromo-N-(5-fluoro-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCC(C)N(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(F)cn1
InChIInChI=1S/C16H14BrFN4O/c1-10(2)22(15-4-3-12(18)8-19-15)16(23)11-5-6-21-14(7-11)13(17)9-20-21/h3-10H,1-2H3
InChIKeyTXGVIRFSIBTUMT-UHFFFAOYSA-N
MW377.22 g/mol
LogP3.69
Rot. Bonds3

About 3-bromo-N-(5-fluoro-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide

3-bromo-N-(5-fluoro-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 90175888) has the molecular formula C16H14BrFN4O and a molecular weight of 377.22 g/mol. Its IUPAC name is 3-bromo-N-(5-fluoro-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(5-fluoro-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID90175888
Molecular FormulaC16H14BrFN4O
Molecular Weight377.22 g/mol
Exact Mass376.03
IUPAC Name3-bromo-N-(5-fluoro-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCC(C)N(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(F)cn1
InChIInChI=1S/C16H14BrFN4O/c1-10(2)22(15-4-3-12(18)8-19-15)16(23)11-5-6-21-14(7-11)13(17)9-20-21/h3-10H,1-2H3
InChIKeyTXGVIRFSIBTUMT-UHFFFAOYSA-N
XLogP3.69
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-fluoro-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 3-bromo-N-(5-fluoro-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide (CID 90175888) is 3-bromo-N-(5-fluoro-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 3-bromo-N-(5-fluoro-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 3-bromo-N-(5-fluoro-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide is CC(C)N(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(F)cn1.
What is the InChIKey of 3-bromo-N-(5-fluoro-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is TXGVIRFSIBTUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN4O/c1-10(2)22(15-4-3-12(18)8-19-15)16(23)11-5-6-21-14(7-11)13(17)9-20-21/h3-10H,1-2H3.
What are the key properties of 3-bromo-N-(5-fluoro-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide?
3-bromo-N-(5-fluoro-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 377.22 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-fluoro-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 90175888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).