6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C19H18BrN5 — CID 175764205

IUPAC6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILES[2H]C1(C)CCN(c2ccc(-c3cc(Br)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C19H18BrN5/c1-13-4-6-24(7-5-13)18-3-2-14(10-22-18)17-8-16(20)12-25-19(17)15(9-21)11-23-25/h2-3,8,10-13H,4-7H2,1H3/i13D
InChIKeyISRBMVZJFXJORR-YSOHJTORSA-N
MW397.30 g/mol
LogP4.27
Rot. Bonds2

About 6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 175764205) has the molecular formula C19H18BrN5 and a molecular weight of 397.30 g/mol. Its IUPAC name is 6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID175764205
Molecular FormulaC19H18BrN5
Molecular Weight397.30 g/mol
Exact Mass396.08
IUPAC Name6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILES[2H]C1(C)CCN(c2ccc(-c3cc(Br)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C19H18BrN5/c1-13-4-6-24(7-5-13)18-3-2-14(10-22-18)17-8-16(20)12-25-19(17)15(9-21)11-23-25/h2-3,8,10-13H,4-7H2,1H3/i13D
InChIKeyISRBMVZJFXJORR-YSOHJTORSA-N
XLogP4.27
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155296144
tert-butyl 4-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 155181405
6-ethoxy-4-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435389
4-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434609
4-[6-(4-formylpiperidin-1-yl)-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
CID 166966755
6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 163630825
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
6-ethoxy-4-[6-[(3S,4S)-4-methyl-3-(methylamino)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435641
6-ethoxy-4-[6-[4-[(2-ethynyl-4-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667264
6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434497
6-(2-hydroxy-2-methylpropoxy)-4-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436242
6-hydroxy-4-[6-[4-(1-hydroxyprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 166996330

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 175764205) is 6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is [2H]C1(C)CCN(c2ccc(-c3cc(Br)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is ISRBMVZJFXJORR-YSOHJTORSA-N. The full InChI is InChI=1S/C19H18BrN5/c1-13-4-6-24(7-5-13)18-3-2-14(10-22-18)17-8-16(20)12-25-19(17)15(9-21)11-23-25/h2-3,8,10-13H,4-7H2,1H3/i13D.
What are the key properties of 6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 397.30 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 175764205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).