2-methyl-5-propan-2-yl-7-(4-pyridin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine

C20H25N5 — CID 56897752

IUPAC2-methyl-5-propan-2-yl-7-(4-pyridin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(C(C)C)cc(N3CCC(c4ccncc4)CC3)n2n1
InChIInChI=1S/C20H25N5/c1-14(2)18-13-20(25-19(22-18)12-15(3)23-25)24-10-6-17(7-11-24)16-4-8-21-9-5-16/h4-5,8-9,12-14,17H,6-7,10-11H2,1-3H3
InChIKeyNYBHACBNHSNCDY-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.94
Rot. Bonds3

About 2-methyl-5-propan-2-yl-7-(4-pyridin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine

2-methyl-5-propan-2-yl-7-(4-pyridin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 56897752) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-7-(4-pyridin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-7-(4-pyridin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID56897752
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name2-methyl-5-propan-2-yl-7-(4-pyridin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(C(C)C)cc(N3CCC(c4ccncc4)CC3)n2n1
InChIInChI=1S/C20H25N5/c1-14(2)18-13-20(25-19(22-18)12-15(3)23-25)24-10-6-17(7-11-24)16-4-8-21-9-5-16/h4-5,8-9,12-14,17H,6-7,10-11H2,1-3H3
InChIKeyNYBHACBNHSNCDY-UHFFFAOYSA-N
XLogP3.94
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-7-(4-pyridin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-5-propan-2-yl-7-(4-pyridin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine (CID 56897752) is 2-methyl-5-propan-2-yl-7-(4-pyridin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-5-propan-2-yl-7-(4-pyridin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-5-propan-2-yl-7-(4-pyridin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine is Cc1cc2nc(C(C)C)cc(N3CCC(c4ccncc4)CC3)n2n1.
What is the InChIKey of 2-methyl-5-propan-2-yl-7-(4-pyridin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is NYBHACBNHSNCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-14(2)18-13-20(25-19(22-18)12-15(3)23-25)24-10-6-17(7-11-24)16-4-8-21-9-5-16/h4-5,8-9,12-14,17H,6-7,10-11H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-7-(4-pyridin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
2-methyl-5-propan-2-yl-7-(4-pyridin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 335.46 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-7-(4-pyridin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56897752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).