7-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine

C19H21FN6 — CID 172893840

IUPAC7-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2C3CC2CN(Cc2ncccc2F)C3)n2nc(C)cc2n1
InChIInChI=1S/C19H21FN6/c1-12-7-19(26-18(22-12)6-13(2)23-26)25-14-8-15(25)10-24(9-14)11-17-16(20)4-3-5-21-17/h3-7,14-15H,8-11H2,1-2H3
InChIKeyLTZXDBBGOVLWMI-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.34
Rot. Bonds3

About 7-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine

7-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 172893840) has the molecular formula C19H21FN6 and a molecular weight of 352.42 g/mol. Its IUPAC name is 7-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID172893840
Molecular FormulaC19H21FN6
Molecular Weight352.42 g/mol
Exact Mass352.18
IUPAC Name7-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2C3CC2CN(Cc2ncccc2F)C3)n2nc(C)cc2n1
InChIInChI=1S/C19H21FN6/c1-12-7-19(26-18(22-12)6-13(2)23-26)25-14-8-15(25)10-24(9-14)11-17-16(20)4-3-5-21-17/h3-7,14-15H,8-11H2,1-2H3
InChIKeyLTZXDBBGOVLWMI-UHFFFAOYSA-N
XLogP2.34
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 172893840) is 7-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2C3CC2CN(Cc2ncccc2F)C3)n2nc(C)cc2n1.
What is the InChIKey of 7-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is LTZXDBBGOVLWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6/c1-12-7-19(26-18(22-12)6-13(2)23-26)25-14-8-15(25)10-24(9-14)11-17-16(20)4-3-5-21-17/h3-7,14-15H,8-11H2,1-2H3.
What are the key properties of 7-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
7-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 352.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 172893840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).