2-fluoro-5-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol

C30H27FN6O — CID 46880218

IUPAC2-fluoro-5-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
SMILESCc1cc(N2C[C@@H]3C[C@H]2CN3C)ccc1-c1ccnc2c(-c3ccc(F)c(O)c3)c(-c3ccncc3)nn12
InChIInChI=1S/C30H27FN6O/c1-18-13-21(36-17-22-15-23(36)16-35(22)2)4-5-24(18)26-9-12-33-30-28(20-3-6-25(31)27(38)14-20)29(34-37(26)30)19-7-10-32-11-8-19/h3-14,22-23,38H,15-17H2,1-2H3/t22-,23-/m0/s1
InChIKeyFBURAFZZOWGKPS-GOTSBHOMSA-N
MW506.59 g/mol
LogP5.17
Rot. Bonds4

About 2-fluoro-5-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol

2-fluoro-5-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol (PubChem CID 46880218) has the molecular formula C30H27FN6O and a molecular weight of 506.59 g/mol. Its IUPAC name is 2-fluoro-5-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol.

Molecular Properties

Compound Name2-fluoro-5-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
PubChem CID46880218
Molecular FormulaC30H27FN6O
Molecular Weight506.59 g/mol
Exact Mass506.22
IUPAC Name2-fluoro-5-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
SMILESCc1cc(N2C[C@@H]3C[C@H]2CN3C)ccc1-c1ccnc2c(-c3ccc(F)c(O)c3)c(-c3ccncc3)nn12
InChIInChI=1S/C30H27FN6O/c1-18-13-21(36-17-22-15-23(36)16-35(22)2)4-5-24(18)26-9-12-33-30-28(20-3-6-25(31)27(38)14-20)29(34-37(26)30)19-7-10-32-11-8-19/h3-14,22-23,38H,15-17H2,1-2H3/t22-,23-/m0/s1
InChIKeyFBURAFZZOWGKPS-GOTSBHOMSA-N
XLogP5.17
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.59
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-5-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The IUPAC name of 2-fluoro-5-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol (CID 46880218) is 2-fluoro-5-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol.
What is the SMILES notation for 2-fluoro-5-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The canonical SMILES for 2-fluoro-5-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol is Cc1cc(N2C[C@@H]3C[C@H]2CN3C)ccc1-c1ccnc2c(-c3ccc(F)c(O)c3)c(-c3ccncc3)nn12.
What is the InChIKey of 2-fluoro-5-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The InChIKey is FBURAFZZOWGKPS-GOTSBHOMSA-N. The full InChI is InChI=1S/C30H27FN6O/c1-18-13-21(36-17-22-15-23(36)16-35(22)2)4-5-24(18)26-9-12-33-30-28(20-3-6-25(31)27(38)14-20)29(34-37(26)30)19-7-10-32-11-8-19/h3-14,22-23,38H,15-17H2,1-2H3/t22-,23-/m0/s1.
What are the key properties of 2-fluoro-5-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol?
2-fluoro-5-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol has a molecular weight of 506.59 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol is sourced from PubChem (CID 46880218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).