2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine

C19H21N7O — CID 163354425

IUPAC2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(Oc3ccn4nccc4n3)CC2)n2nc(C)cc2n1
InChIInChI=1S/C19H21N7O/c1-13-12-19(26-17(21-13)11-14(2)23-26)24-8-4-15(5-9-24)27-18-6-10-25-16(22-18)3-7-20-25/h3,6-7,10-12,15H,4-5,8-9H2,1-2H3
InChIKeyNTINHHGKEYMBCD-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.44
Rot. Bonds3

About 2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine

2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 163354425) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID163354425
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(Oc3ccn4nccc4n3)CC2)n2nc(C)cc2n1
InChIInChI=1S/C19H21N7O/c1-13-12-19(26-17(21-13)11-14(2)23-26)24-8-4-15(5-9-24)27-18-6-10-25-16(22-18)3-7-20-25/h3,6-7,10-12,15H,4-5,8-9H2,1-2H3
InChIKeyNTINHHGKEYMBCD-UHFFFAOYSA-N
XLogP2.44
TPSA72.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine (CID 163354425) is 2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCC(Oc3ccn4nccc4n3)CC2)n2nc(C)cc2n1.
What is the InChIKey of 2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is NTINHHGKEYMBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-13-12-19(26-17(21-13)11-14(2)23-26)24-8-4-15(5-9-24)27-18-6-10-25-16(22-18)3-7-20-25/h3,6-7,10-12,15H,4-5,8-9H2,1-2H3.
What are the key properties of 2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 363.43 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163354425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).