6-bromo-4-[6-[[(1S)-1-[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C24H18BrFN8 — CID 166793041

IUPAC6-bromo-4-[6-[[(1S)-1-[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC[C@@H](c1cnccc1-n1cc(F)cn1)N(C)c1ccc(-c2cc(Br)cn3ncc(C#N)c23)cn1
InChIInChI=1S/C24H18BrFN8/c1-15(21-12-28-6-5-22(21)33-14-19(26)11-31-33)32(2)23-4-3-16(9-29-23)20-7-18(25)13-34-24(20)17(8-27)10-30-34/h3-7,9-15H,1-2H3/t15-/m0/s1
InChIKeyGLZSJAXCONEDSR-HNNXBMFYSA-N
MW517.37 g/mol
LogP4.95
Rot. Bonds5

About 6-bromo-4-[6-[[(1S)-1-[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-bromo-4-[6-[[(1S)-1-[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 166793041) has the molecular formula C24H18BrFN8 and a molecular weight of 517.37 g/mol. Its IUPAC name is 6-bromo-4-[6-[[(1S)-1-[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-[6-[[(1S)-1-[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID166793041
Molecular FormulaC24H18BrFN8
Molecular Weight517.37 g/mol
Exact Mass516.08
IUPAC Name6-bromo-4-[6-[[(1S)-1-[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC[C@@H](c1cnccc1-n1cc(F)cn1)N(C)c1ccc(-c2cc(Br)cn3ncc(C#N)c23)cn1
InChIInChI=1S/C24H18BrFN8/c1-15(21-12-28-6-5-22(21)33-14-19(26)11-31-33)32(2)23-4-3-16(9-29-23)20-7-18(25)13-34-24(20)17(8-27)10-30-34/h3-7,9-15H,1-2H3/t15-/m0/s1
InChIKeyGLZSJAXCONEDSR-HNNXBMFYSA-N
XLogP4.95
TPSA87.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-bromo-4-[6-[[(1S)-1-[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[6-[[(1S)-1-[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-bromo-4-[6-[[(1S)-1-[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 166793041) is 6-bromo-4-[6-[[(1S)-1-[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-bromo-4-[6-[[(1S)-1-[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-bromo-4-[6-[[(1S)-1-[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C[C@@H](c1cnccc1-n1cc(F)cn1)N(C)c1ccc(-c2cc(Br)cn3ncc(C#N)c23)cn1.
What is the InChIKey of 6-bromo-4-[6-[[(1S)-1-[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is GLZSJAXCONEDSR-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H18BrFN8/c1-15(21-12-28-6-5-22(21)33-14-19(26)11-31-33)32(2)23-4-3-16(9-29-23)20-7-18(25)13-34-24(20)17(8-27)10-30-34/h3-7,9-15H,1-2H3/t15-/m0/s1.
What are the key properties of 6-bromo-4-[6-[[(1S)-1-[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-bromo-4-[6-[[(1S)-1-[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 517.37 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[6-[[(1S)-1-[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-methylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 166793041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).