3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine

C24H25N5O — CID 174231173

IUPAC3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESc1cnc2c(-c3ccnc(-c4ccc(OCCN5CCCCC5)cc4)c3)cnn2c1
InChIInChI=1S/C24H25N5O/c1-2-12-28(13-3-1)15-16-30-21-7-5-19(6-8-21)23-17-20(9-11-25-23)22-18-27-29-14-4-10-26-24(22)29/h4-11,14,17-18H,1-3,12-13,15-16H2
InChIKeyOPPDYYPTRPBWHO-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.32
Rot. Bonds6

About 3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine

3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 174231173) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
PubChem CID174231173
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESc1cnc2c(-c3ccnc(-c4ccc(OCCN5CCCCC5)cc4)c3)cnn2c1
InChIInChI=1S/C24H25N5O/c1-2-12-28(13-3-1)15-16-30-21-7-5-19(6-8-21)23-17-20(9-11-25-23)22-18-27-29-14-4-10-26-24(22)29/h4-11,14,17-18H,1-3,12-13,15-16H2
InChIKeyOPPDYYPTRPBWHO-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

2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44577770
azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 161049684
4-[[3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine
CID 59495030
2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile
CID 59495027
6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1,1,1-trifluoro-3-methylbutan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 157036593
3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 71150900
piperidin-1-yl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone
CID 59495054
4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine
CID 10159518
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
2,2,2-trifluoro-1-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanamine
CID 118664716
2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol
CID 135241050

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine (CID 174231173) is 3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine is c1cnc2c(-c3ccnc(-c4ccc(OCCN5CCCCC5)cc4)c3)cnn2c1.
What is the InChIKey of 3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is OPPDYYPTRPBWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)15-16-30-21-7-5-19(6-8-21)23-17-20(9-11-25-23)22-18-27-29-14-4-10-26-24(22)29/h4-11,14,17-18H,1-3,12-13,15-16H2.
What are the key properties of 3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[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 3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 174231173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).