N-[2-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]anilino]-2-oxoethyl]propanamide

C24H22Cl2N6O2 — CID 143477436

IUPACN-[2-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]anilino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)Nc1ccc(-c2cc(NCc3ccc(Cl)cc3Cl)n3nccc3n2)cc1
InChIInChI=1S/C24H22Cl2N6O2/c1-2-23(33)28-14-24(34)30-18-7-4-15(5-8-18)20-12-22(32-21(31-20)9-10-29-32)27-13-16-3-6-17(25)11-19(16)26/h3-12,27H,2,13-14H2,1H3,(H,28,33)(H,30,34)
InChIKeyDEXHOWUJESVONN-UHFFFAOYSA-N
MW497.39 g/mol
LogP4.78
Rot. Bonds8

About N-[2-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]anilino]-2-oxoethyl]propanamide

N-[2-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]anilino]-2-oxoethyl]propanamide (PubChem CID 143477436) has the molecular formula C24H22Cl2N6O2 and a molecular weight of 497.39 g/mol. Its IUPAC name is N-[2-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]anilino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]anilino]-2-oxoethyl]propanamide
PubChem CID143477436
Molecular FormulaC24H22Cl2N6O2
Molecular Weight497.39 g/mol
Exact Mass496.12
IUPAC NameN-[2-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]anilino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)Nc1ccc(-c2cc(NCc3ccc(Cl)cc3Cl)n3nccc3n2)cc1
InChIInChI=1S/C24H22Cl2N6O2/c1-2-23(33)28-14-24(34)30-18-7-4-15(5-8-18)20-12-22(32-21(31-20)9-10-29-32)27-13-16-3-6-17(25)11-19(16)26/h3-12,27H,2,13-14H2,1H3,(H,28,33)(H,30,34)
InChIKeyDEXHOWUJESVONN-UHFFFAOYSA-N
XLogP4.78
TPSA100.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.39
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]anilino]-2-oxoethyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(1,3-dimethyl-1H-pyrazol-5-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899752
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(1-ethyl-1H-pyrazol-5-yl)-7-methylimidazo(1,2-a)pyrimidine-2-carboxamide
CID 46899938
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(2-methylpyrazol-3-yl)acetamide
CID 57396206
3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3266722
3-(4-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1835852
N-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1761196
N-[6-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyrazin-3-yl]-2,2,2-trifluoroacetamide
CID 294775
CE-178,253
CID 11191162
6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 11510166
(7-(2,4-Dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 11516511
(7-(2,4-Dichlorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 11632375
(R)-3-(6-(1-(4-chlorophenyl)ethylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44158549

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]anilino]-2-oxoethyl]propanamide?
The IUPAC name of N-[2-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]anilino]-2-oxoethyl]propanamide (CID 143477436) is N-[2-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]anilino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-[2-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]anilino]-2-oxoethyl]propanamide?
The canonical SMILES for N-[2-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]anilino]-2-oxoethyl]propanamide is CCC(=O)NCC(=O)Nc1ccc(-c2cc(NCc3ccc(Cl)cc3Cl)n3nccc3n2)cc1.
What is the InChIKey of N-[2-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]anilino]-2-oxoethyl]propanamide?
The InChIKey is DEXHOWUJESVONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N6O2/c1-2-23(33)28-14-24(34)30-18-7-4-15(5-8-18)20-12-22(32-21(31-20)9-10-29-32)27-13-16-3-6-17(25)11-19(16)26/h3-12,27H,2,13-14H2,1H3,(H,28,33)(H,30,34).
What are the key properties of N-[2-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]anilino]-2-oxoethyl]propanamide?
N-[2-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]anilino]-2-oxoethyl]propanamide has a molecular weight of 497.39 g/mol, XLogP of 4.78, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]anilino]-2-oxoethyl]propanamide is sourced from PubChem (CID 143477436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).