5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C26H25N7 — CID 174167126

IUPAC5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2ccn(-c3cc(N4CCCCC4)n4nc(-c5ccncc5)cc4n3)n2)cc1
InChIInChI=1S/C26H25N7/c1-19-5-7-20(8-6-19)22-11-16-32(29-22)24-18-26(31-14-3-2-4-15-31)33-25(28-24)17-23(30-33)21-9-12-27-13-10-21/h5-13,16-18H,2-4,14-15H2,1H3
InChIKeyYBSYDMXOJCJQKH-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.94
Rot. Bonds4

About 5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 174167126) has the molecular formula C26H25N7 and a molecular weight of 435.54 g/mol. Its IUPAC name is 5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID174167126
Molecular FormulaC26H25N7
Molecular Weight435.54 g/mol
Exact Mass435.22
IUPAC Name5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2ccn(-c3cc(N4CCCCC4)n4nc(-c5ccncc5)cc4n3)n2)cc1
InChIInChI=1S/C26H25N7/c1-19-5-7-20(8-6-19)22-11-16-32(29-22)24-18-26(31-14-3-2-4-15-31)33-25(28-24)17-23(30-33)21-9-12-27-13-10-21/h5-13,16-18H,2-4,14-15H2,1H3
InChIKeyYBSYDMXOJCJQKH-UHFFFAOYSA-N
XLogP4.94
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 174167126) is 5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is Cc1ccc(-c2ccn(-c3cc(N4CCCCC4)n4nc(-c5ccncc5)cc4n3)n2)cc1.
What is the InChIKey of 5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is YBSYDMXOJCJQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7/c1-19-5-7-20(8-6-19)22-11-16-32(29-22)24-18-26(31-14-3-2-4-15-31)33-25(28-24)17-23(30-33)21-9-12-27-13-10-21/h5-13,16-18H,2-4,14-15H2,1H3.
What are the key properties of 5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 435.54 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 174167126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).