1-[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylmethanamine

C22H18ClF2N7O — CID 170553743

IUPAC1-[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nn(-c2cc(Cl)ccc2OC(F)F)c2cc(-c3cnn4cccnc34)ncc12
InChIInChI=1S/C22H18ClF2N7O/c1-30(2)12-17-14-10-27-16(15-11-28-31-7-3-6-26-21(15)31)9-18(14)32(29-17)19-8-13(23)4-5-20(19)33-22(24)25/h3-11,22H,12H2,1-2H3
InChIKeyGLTMIVUPJTYUGN-UHFFFAOYSA-N
MW469.88 g/mol
LogP4.45
Rot. Bonds6

About 1-[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylmethanamine

1-[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylmethanamine (PubChem CID 170553743) has the molecular formula C22H18ClF2N7O and a molecular weight of 469.88 g/mol. Its IUPAC name is 1-[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylmethanamine
PubChem CID170553743
Molecular FormulaC22H18ClF2N7O
Molecular Weight469.88 g/mol
Exact Mass469.12
IUPAC Name1-[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nn(-c2cc(Cl)ccc2OC(F)F)c2cc(-c3cnn4cccnc34)ncc12
InChIInChI=1S/C22H18ClF2N7O/c1-30(2)12-17-14-10-27-16(15-11-28-31-7-3-6-26-21(15)31)9-18(14)32(29-17)19-8-13(23)4-5-20(19)33-22(24)25/h3-11,22H,12H2,1-2H3
InChIKeyGLTMIVUPJTYUGN-UHFFFAOYSA-N
XLogP4.45
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.88
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylmethanamine (CID 170553743) is 1-[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylmethanamine is CN(C)Cc1nn(-c2cc(Cl)ccc2OC(F)F)c2cc(-c3cnn4cccnc34)ncc12.
What is the InChIKey of 1-[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylmethanamine?
The InChIKey is GLTMIVUPJTYUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2N7O/c1-30(2)12-17-14-10-27-16(15-11-28-31-7-3-6-26-21(15)31)9-18(14)32(29-17)19-8-13(23)4-5-20(19)33-22(24)25/h3-11,22H,12H2,1-2H3.
What are the key properties of 1-[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylmethanamine?
1-[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylmethanamine has a molecular weight of 469.88 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-chloro-2-(difluoromethoxy)phenyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 170553743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).