6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine

C24H25N5O — CID 5329452

IUPAC6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
SMILESc1cncc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)c1
InChIInChI=1S/C24H25N5O/c1-2-11-28(12-3-1)13-14-30-22-8-6-19(7-9-22)21-16-26-24-23(17-27-29(24)18-21)20-5-4-10-25-15-20/h4-10,15-18H,1-3,11-14H2
InChIKeyCXMKJARIDJFGGI-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.32
Rot. Bonds6

About 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine

6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 5329452) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
PubChem CID5329452
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
SMILESc1cncc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)c1
InChIInChI=1S/C24H25N5O/c1-2-11-28(12-3-1)13-14-30-22-8-6-19(7-9-22)21-16-26-24-23(17-27-29(24)18-21)20-5-4-10-25-15-20/h4-10,15-18H,1-3,11-14H2
InChIKeyCXMKJARIDJFGGI-UHFFFAOYSA-N
XLogP4.32
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Dorsomorphin
CID 11524144
3-(6-ethoxynaphthalen-2-yl)-1-((1-methylpiperidin-4-yl)methyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56963908
4-[2-[4-(3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329447
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
ML347
CID 44577753
4-[3-(2-Methoxy-pyridin-3-yl)-pyrazolo[1,5-a]pyrimidin-5-yl]-piperazine-1-carboxylic acid isopropyl ester
CID 86697436
1-(2-{4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)piperidine
CID 5329450
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
Methyl substituted pyrazole, 27
CID 23648674
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
4-(2-{4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)morpholine
CID 5329446

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine (CID 5329452) is 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine is c1cncc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)c1.
What is the InChIKey of 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CXMKJARIDJFGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-2-11-28(12-3-1)13-14-30-22-8-6-19(7-9-22)21-16-26-24-23(17-27-29(24)18-21)20-5-4-10-25-15-20/h4-10,15-18H,1-3,11-14H2.
What are the key properties of 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 399.50 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5329452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).