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

C30H31ClF2N8O6 — CID 118522329

IUPACN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(CC(=O)N2CCC(OCC(=O)N3CCOCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C30H31ClF2N8O6/c31-19-2-3-24(47-30(32)33)21(14-19)27-23(36-29(44)22-15-35-41-7-1-6-34-28(22)41)16-40(37-27)17-25(42)38-8-4-20(5-9-38)46-18-26(43)39-10-12-45-13-11-39/h1-3,6-7,14-16,20,30H,4-5,8-13,17-18H2,(H,36,44)
InChIKeyUSUNSVCZXQCXIT-UHFFFAOYSA-N
MW673.08 g/mol
LogP2.97
Rot. Bonds10

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

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118522329) has the molecular formula C30H31ClF2N8O6 and a molecular weight of 673.08 g/mol. Its IUPAC name is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID118522329
Molecular FormulaC30H31ClF2N8O6
Molecular Weight673.08 g/mol
Exact Mass672.20
IUPAC NameN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(CC(=O)N2CCC(OCC(=O)N3CCOCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C30H31ClF2N8O6/c31-19-2-3-24(47-30(32)33)21(14-19)27-23(36-29(44)22-15-35-41-7-1-6-34-28(22)41)16-40(37-27)17-25(42)38-8-4-20(5-9-38)46-18-26(43)39-10-12-45-13-11-39/h1-3,6-7,14-16,20,30H,4-5,8-13,17-18H2,(H,36,44)
InChIKeyUSUNSVCZXQCXIT-UHFFFAOYSA-N
XLogP2.97
TPSA145.42 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.08
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]-2-oxoethyl]pyrazol-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-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118522329) is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn(CC(=O)N2CCC(OCC(=O)N3CCOCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is USUNSVCZXQCXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClF2N8O6/c31-19-2-3-24(47-30(32)33)21(14-19)27-23(36-29(44)22-15-35-41-7-1-6-34-28(22)41)16-40(37-27)17-25(42)38-8-4-20(5-9-38)46-18-26(43)39-10-12-45-13-11-39/h1-3,6-7,14-16,20,30H,4-5,8-13,17-18H2,(H,36,44).
What are the key properties of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 673.08 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118522329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).