N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[ethyl-[(2-methyl-4-pyridinyl)methyl]amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H25ClF2N8O3 — CID 118522719

IUPACN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[ethyl-[(2-methyl-4-pyridinyl)methyl]amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(Cc1ccnc(C)c1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1
InChIInChI=1S/C28H25ClF2N8O3/c1-3-37(14-18-7-9-32-17(2)11-18)24(40)16-38-15-22(35-27(41)21-13-34-39-10-4-8-33-26(21)39)25(36-38)20-12-19(29)5-6-23(20)42-28(30)31/h4-13,15,28H,3,14,16H2,1-2H3,(H,35,41)
InChIKeyYQFHYNDMISLUGE-UHFFFAOYSA-N
MW595.01 g/mol
LogP4.85
Rot. Bonds10

About N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[ethyl-[(2-methyl-4-pyridinyl)methyl]amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[ethyl-[(2-methyl-4-pyridinyl)methyl]amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118522719) has the molecular formula C28H25ClF2N8O3 and a molecular weight of 595.01 g/mol. Its IUPAC name is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[ethyl-[(2-methyl-4-pyridinyl)methyl]amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[ethyl-[(2-methyl-4-pyridinyl)methyl]amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID118522719
Molecular FormulaC28H25ClF2N8O3
Molecular Weight595.01 g/mol
Exact Mass594.17
IUPAC NameN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[ethyl-[(2-methyl-4-pyridinyl)methyl]amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(Cc1ccnc(C)c1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1
InChIInChI=1S/C28H25ClF2N8O3/c1-3-37(14-18-7-9-32-17(2)11-18)24(40)16-38-15-22(35-27(41)21-13-34-39-10-4-8-33-26(21)39)25(36-38)20-12-19(29)5-6-23(20)42-28(30)31/h4-13,15,28H,3,14,16H2,1-2H3,(H,35,41)
InChIKeyYQFHYNDMISLUGE-UHFFFAOYSA-N
XLogP4.85
TPSA119.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.01
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[ethyl-[(2-methyl-4-pyridinyl)methyl]amino]-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-[ethyl-[(2-methyl-4-pyridinyl)methyl]amino]-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-[ethyl-[(2-methyl-4-pyridinyl)methyl]amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118522719) is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[ethyl-[(2-methyl-4-pyridinyl)methyl]amino]-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-[ethyl-[(2-methyl-4-pyridinyl)methyl]amino]-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-[ethyl-[(2-methyl-4-pyridinyl)methyl]amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(Cc1ccnc(C)c1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1.
What is the InChIKey of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[ethyl-[(2-methyl-4-pyridinyl)methyl]amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YQFHYNDMISLUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClF2N8O3/c1-3-37(14-18-7-9-32-17(2)11-18)24(40)16-38-15-22(35-27(41)21-13-34-39-10-4-8-33-26(21)39)25(36-38)20-12-19(29)5-6-23(20)42-28(30)31/h4-13,15,28H,3,14,16H2,1-2H3,(H,35,41).
What are the key properties of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[ethyl-[(2-methyl-4-pyridinyl)methyl]amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[ethyl-[(2-methyl-4-pyridinyl)methyl]amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 595.01 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[ethyl-[(2-methyl-4-pyridinyl)methyl]amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118522719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).