2,3-dimethyl-5-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[1,5-a]pyrimidine

C18H21N5O — CID 72706866

IUPAC2,3-dimethyl-5-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2ccc(OCc3cccc(N4CCCC4)n3)nc2c1C
InChIInChI=1S/C18H21N5O/c1-13-14(2)21-23-11-8-17(20-18(13)23)24-12-15-6-5-7-16(19-15)22-9-3-4-10-22/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyUOKLFTOSYFMNAG-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.92
Rot. Bonds4

About 2,3-dimethyl-5-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[1,5-a]pyrimidine

2,3-dimethyl-5-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[1,5-a]pyrimidine (PubChem CID 72706866) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2,3-dimethyl-5-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,3-dimethyl-5-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[1,5-a]pyrimidine
PubChem CID72706866
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2,3-dimethyl-5-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2ccc(OCc3cccc(N4CCCC4)n3)nc2c1C
InChIInChI=1S/C18H21N5O/c1-13-14(2)21-23-11-8-17(20-18(13)23)24-12-15-6-5-7-16(19-15)22-9-3-4-10-22/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyUOKLFTOSYFMNAG-UHFFFAOYSA-N
XLogP2.92
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,3-dimethyl-5-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[1,5-a]pyrimidine (CID 72706866) is 2,3-dimethyl-5-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,3-dimethyl-5-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,3-dimethyl-5-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[1,5-a]pyrimidine is Cc1nn2ccc(OCc3cccc(N4CCCC4)n3)nc2c1C.
What is the InChIKey of 2,3-dimethyl-5-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[1,5-a]pyrimidine?
The InChIKey is UOKLFTOSYFMNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-14(2)21-23-11-8-17(20-18(13)23)24-12-15-6-5-7-16(19-15)22-9-3-4-10-22/h5-8,11H,3-4,9-10,12H2,1-2H3.
What are the key properties of 2,3-dimethyl-5-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[1,5-a]pyrimidine?
2,3-dimethyl-5-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[1,5-a]pyrimidine has a molecular weight of 323.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 72706866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).