7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine

C23H21Cl2N5 — CID 166871227

IUPAC7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cncc(Cl)c1-c1cc2nccc(C3CCCN(Cc4ccccc4)C3)n2n1
InChIInChI=1S/C23H21Cl2N5/c24-18-12-26-13-19(25)23(18)20-11-22-27-9-8-21(30(22)28-20)17-7-4-10-29(15-17)14-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-13,17H,4,7,10,14-15H2
InChIKeySYRMSENWEUBXJV-UHFFFAOYSA-N
MW438.36 g/mol
LogP5.48
Rot. Bonds4

About 7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine

7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 166871227) has the molecular formula C23H21Cl2N5 and a molecular weight of 438.36 g/mol. Its IUPAC name is 7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
PubChem CID166871227
Molecular FormulaC23H21Cl2N5
Molecular Weight438.36 g/mol
Exact Mass437.12
IUPAC Name7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cncc(Cl)c1-c1cc2nccc(C3CCCN(Cc4ccccc4)C3)n2n1
InChIInChI=1S/C23H21Cl2N5/c24-18-12-26-13-19(25)23(18)20-11-22-27-9-8-21(30(22)28-20)17-7-4-10-29(15-17)14-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-13,17H,4,7,10,14-15H2
InChIKeySYRMSENWEUBXJV-UHFFFAOYSA-N
XLogP5.48
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.36
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]boronic acid
CID 167436094
N'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine
CID 166871134
7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 166871451
7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 166871452
7-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 166871092
7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124975578
N-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]-N-methyl-1-phenylmethanamine
CID 166871454
7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine
CID 166871258
N-[[7-(1-benzylpiperidin-3-yl)-2-chloropyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1-(oxan-4-yl)methanamine
CID 166871311
N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine
CID 105369461
2-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine
CID 86760503
5-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine
CID 95828115

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine (CID 166871227) is 7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine is Clc1cncc(Cl)c1-c1cc2nccc(C3CCCN(Cc4ccccc4)C3)n2n1.
What is the InChIKey of 7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is SYRMSENWEUBXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5/c24-18-12-26-13-19(25)23(18)20-11-22-27-9-8-21(30(22)28-20)17-7-4-10-29(15-17)14-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-13,17H,4,7,10,14-15H2.
What are the key properties of 7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 438.36 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 166871227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).