3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C23H26N8 — CID 126473681

IUPAC3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN1CCN(c2ccc(-c3cnn4c(NCCc5cccnc5)ccnc34)cn2)CC1
InChIInChI=1S/C23H26N8/c1-29-11-13-30(14-12-29)21-5-4-19(16-27-21)20-17-28-31-22(7-10-26-23(20)31)25-9-6-18-3-2-8-24-15-18/h2-5,7-8,10,15-17,25H,6,9,11-14H2,1H3
InChIKeyLYEXLWNWUPRIIN-UHFFFAOYSA-N
MW414.52 g/mol
LogP2.59
Rot. Bonds6

About 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 126473681) has the molecular formula C23H26N8 and a molecular weight of 414.52 g/mol. Its IUPAC name is 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID126473681
Molecular FormulaC23H26N8
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC Name3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN1CCN(c2ccc(-c3cnn4c(NCCc5cccnc5)ccnc34)cn2)CC1
InChIInChI=1S/C23H26N8/c1-29-11-13-30(14-12-29)21-5-4-19(16-27-21)20-17-28-31-22(7-10-26-23(20)31)25-9-6-18-3-2-8-24-15-18/h2-5,7-8,10,15-17,25H,6,9,11-14H2,1H3
InChIKeyLYEXLWNWUPRIIN-UHFFFAOYSA-N
XLogP2.59
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 68751853
3-naphthalen-2-yl-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126475589
3-(4-aminophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126473680
6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112857915
3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid
CID 126474986
N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126472969
3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 126471525
3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126475082
1-methyl-N-(2-pyridin-3-ylethyl)pyrazol-4-amine
CID 79771016
3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 126471580
N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 68752804
2-methyl-6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112870708

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 126473681) is 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CN1CCN(c2ccc(-c3cnn4c(NCCc5cccnc5)ccnc34)cn2)CC1.
What is the InChIKey of 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LYEXLWNWUPRIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8/c1-29-11-13-30(14-12-29)21-5-4-19(16-27-21)20-17-28-31-22(7-10-26-23(20)31)25-9-6-18-3-2-8-24-15-18/h2-5,7-8,10,15-17,25H,6,9,11-14H2,1H3.
What are the key properties of 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 414.52 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 126473681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).