3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride

C16H19Cl2N5 — CID 142763409

IUPAC3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride
SMILESCl.Cl.c1cc(-c2cnn3cccnc23)nc(C2CCCNC2)c1
InChIInChI=1S/C16H17N5.2ClH/c1-5-14(12-4-2-7-17-10-12)20-15(6-1)13-11-19-21-9-3-8-18-16(13)21;;/h1,3,5-6,8-9,11-12,17H,2,4,7,10H2;2*1H
InChIKeyKNICCXRURYRNGC-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.10
Rot. Bonds2

About 3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride

3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride (PubChem CID 142763409) has the molecular formula C16H19Cl2N5 and a molecular weight of 352.27 g/mol. Its IUPAC name is 3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride
PubChem CID142763409
Molecular FormulaC16H19Cl2N5
Molecular Weight352.27 g/mol
Exact Mass351.10
IUPAC Name3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride
SMILESCl.Cl.c1cc(-c2cnn3cccnc23)nc(C2CCCNC2)c1
InChIInChI=1S/C16H17N5.2ClH/c1-5-14(12-4-2-7-17-10-12)20-15(6-1)13-11-19-21-9-3-8-18-16(13)21;;/h1,3,5-6,8-9,11-12,17H,2,4,7,10H2;2*1H
InChIKeyKNICCXRURYRNGC-UHFFFAOYSA-N
XLogP3.10
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 58303582
3-(6-piperidin-3-yl-2-pyridinyl)-5-propan-2-yloxypyrazolo[1,5-a]pyridine
CID 175682020
3-[6-[(3R)-piperidin-3-yl]-2-pyridinyl]imidazo[1,2-a]pyrimidine
CID 124994491
2-[(3R)-piperidin-3-yl]-6-(1H-pyrazol-5-yl)pyridine
CID 125010017
3-(4-fluoro-6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridine
CID 175682038
2-bromo-6-piperidin-3-ylpyridine;dihydrochloride
CID 170905464
N-[6-[(3R)-piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 125009516
3-(methylsulfanylamino)-N-[3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]propanamide
CID 176694780
4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
CID 125011656
3-methyl-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 63757632
4-piperidin-3-ylpyrazolo[1,5-a]pyridine
CID 83831871
5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56880397

Frequently Asked Questions

What is the IUPAC name of 3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride?
The IUPAC name of 3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride (CID 142763409) is 3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride.
What is the SMILES notation for 3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride?
The canonical SMILES for 3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride is Cl.Cl.c1cc(-c2cnn3cccnc23)nc(C2CCCNC2)c1.
What is the InChIKey of 3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride?
The InChIKey is KNICCXRURYRNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5.2ClH/c1-5-14(12-4-2-7-17-10-12)20-15(6-1)13-11-19-21-9-3-8-18-16(13)21;;/h1,3,5-6,8-9,11-12,17H,2,4,7,10H2;2*1H.
What are the key properties of 3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride?
3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride has a molecular weight of 352.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride is sourced from PubChem (CID 142763409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).