1-[(2-fluorophenyl)methyl]-3-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine

C23H22FN7 — CID 23548203

IUPAC1-[(2-fluorophenyl)methyl]-3-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
SMILESCN1CC2CC1CN2c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1
InChIInChI=1S/C23H22FN7/c1-29-13-17-9-16(29)14-30(17)18-10-26-22(27-11-18)21-19-6-4-8-25-23(19)31(28-21)12-15-5-2-3-7-20(15)24/h2-8,10-11,16-17H,9,12-14H2,1H3
InChIKeyTZOIDZUUJVPMBC-UHFFFAOYSA-N
MW415.48 g/mol
LogP2.97
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-3-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine

1-[(2-fluorophenyl)methyl]-3-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine (PubChem CID 23548203) has the molecular formula C23H22FN7 and a molecular weight of 415.48 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
PubChem CID23548203
Molecular FormulaC23H22FN7
Molecular Weight415.48 g/mol
Exact Mass415.19
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
SMILESCN1CC2CC1CN2c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1
InChIInChI=1S/C23H22FN7/c1-29-13-17-9-16(29)14-30(17)18-10-26-22(27-11-18)21-19-6-4-8-25-23(19)31(28-21)12-15-5-2-3-7-20(15)24/h2-8,10-11,16-17H,9,12-14H2,1H3
InChIKeyTZOIDZUUJVPMBC-UHFFFAOYSA-N
XLogP2.97
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(2-fluorophenyl)methyl]-3-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine (CID 23548203) is 1-[(2-fluorophenyl)methyl]-3-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine is CN1CC2CC1CN2c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
The InChIKey is TZOIDZUUJVPMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7/c1-29-13-17-9-16(29)14-30(17)18-10-26-22(27-11-18)21-19-6-4-8-25-23(19)31(28-21)12-15-5-2-3-7-20(15)24/h2-8,10-11,16-17H,9,12-14H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
1-[(2-fluorophenyl)methyl]-3-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine has a molecular weight of 415.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 23548203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).