N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H20ClF2N7O2 — CID 118522397

IUPACN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(C2CCNCC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C22H20ClF2N7O2/c23-13-2-3-18(34-22(24)25)15(10-13)19-17(12-32(30-19)14-4-7-26-8-5-14)29-21(33)16-11-28-31-9-1-6-27-20(16)31/h1-3,6,9-12,14,22,26H,4-5,7-8H2,(H,29,33)
InChIKeyQFUFZZIDLKZHRV-UHFFFAOYSA-N
MW487.90 g/mol
LogP4.02
Rot. Bonds6

About N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118522397) has the molecular formula C22H20ClF2N7O2 and a molecular weight of 487.90 g/mol. Its IUPAC name is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID118522397
Molecular FormulaC22H20ClF2N7O2
Molecular Weight487.90 g/mol
Exact Mass487.13
IUPAC NameN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(C2CCNCC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C22H20ClF2N7O2/c23-13-2-3-18(34-22(24)25)15(10-13)19-17(12-32(30-19)14-4-7-26-8-5-14)29-21(33)16-11-28-31-9-1-6-27-20(16)31/h1-3,6,9-12,14,22,26H,4-5,7-8H2,(H,29,33)
InChIKeyQFUFZZIDLKZHRV-UHFFFAOYSA-N
XLogP4.02
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.90
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide 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 N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118522397) is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn(C2CCNCC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QFUFZZIDLKZHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF2N7O2/c23-13-2-3-18(34-22(24)25)15(10-13)19-17(12-32(30-19)14-4-7-26-8-5-14)29-21(33)16-11-28-31-9-1-6-27-20(16)31/h1-3,6,9-12,14,22,26H,4-5,7-8H2,(H,29,33).
What are the key properties of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 487.90 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118522397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).