(2,4-dichlorophenyl)methyl-[5-[4-(4-ethylmorpholin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid

C26H25Cl2N5O3 — CID 68958335

IUPAC(2,4-dichlorophenyl)methyl-[5-[4-(4-ethylmorpholin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid
SMILESCCN1CCOC(c2ccc(-c3cc(N(Cc4ccc(Cl)cc4Cl)C(=O)O)n4nccc4n3)cc2)C1
InChIInChI=1S/C26H25Cl2N5O3/c1-2-31-11-12-36-23(16-31)18-5-3-17(4-6-18)22-14-25(33-24(30-22)9-10-29-33)32(26(34)35)15-19-7-8-20(27)13-21(19)28/h3-10,13-14,23H,2,11-12,15-16H2,1H3,(H,34,35)
InChIKeyLEYMSBUCJHYJKQ-UHFFFAOYSA-N
MW526.42 g/mol
LogP5.78
Rot. Bonds6

About (2,4-dichlorophenyl)methyl-[5-[4-(4-ethylmorpholin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid

(2,4-dichlorophenyl)methyl-[5-[4-(4-ethylmorpholin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid (PubChem CID 68958335) has the molecular formula C26H25Cl2N5O3 and a molecular weight of 526.42 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl-[5-[4-(4-ethylmorpholin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl-[5-[4-(4-ethylmorpholin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid
PubChem CID68958335
Molecular FormulaC26H25Cl2N5O3
Molecular Weight526.42 g/mol
Exact Mass525.13
IUPAC Name(2,4-dichlorophenyl)methyl-[5-[4-(4-ethylmorpholin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid
SMILESCCN1CCOC(c2ccc(-c3cc(N(Cc4ccc(Cl)cc4Cl)C(=O)O)n4nccc4n3)cc2)C1
InChIInChI=1S/C26H25Cl2N5O3/c1-2-31-11-12-36-23(16-31)18-5-3-17(4-6-18)22-14-25(33-24(30-22)9-10-29-33)32(26(34)35)15-19-7-8-20(27)13-21(19)28/h3-10,13-14,23H,2,11-12,15-16H2,1H3,(H,34,35)
InChIKeyLEYMSBUCJHYJKQ-UHFFFAOYSA-N
XLogP5.78
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.42
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2,4-dichlorophenyl)methyl-[5-[4-(4-ethylmorpholin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid 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

tert-butyl N-[5-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate
CID 71072746
2-[4-(4-chlorophenoxy)phenyl]-4-ethylmorpholine
CID 142654768
4-[(2S)-4-ethylmorpholin-2-yl]phenol
CID 71422679
(2,4-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298
(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95196647
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
2-(2-chloro-4-methylphenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 106867039
4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
CID 24816093
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60504824
2-(4,6-dichloropyrimidin-2-yl)-4-ethylmorpholine
CID 79666573
3-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]benzoic acid
CID 122034855
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(4-methylphenyl)acetamide
CID 60516267

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl-[5-[4-(4-ethylmorpholin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid?
The IUPAC name of (2,4-dichlorophenyl)methyl-[5-[4-(4-ethylmorpholin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid (CID 68958335) is (2,4-dichlorophenyl)methyl-[5-[4-(4-ethylmorpholin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid.
What is the SMILES notation for (2,4-dichlorophenyl)methyl-[5-[4-(4-ethylmorpholin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid?
The canonical SMILES for (2,4-dichlorophenyl)methyl-[5-[4-(4-ethylmorpholin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid is CCN1CCOC(c2ccc(-c3cc(N(Cc4ccc(Cl)cc4Cl)C(=O)O)n4nccc4n3)cc2)C1.
What is the InChIKey of (2,4-dichlorophenyl)methyl-[5-[4-(4-ethylmorpholin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid?
The InChIKey is LEYMSBUCJHYJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N5O3/c1-2-31-11-12-36-23(16-31)18-5-3-17(4-6-18)22-14-25(33-24(30-22)9-10-29-33)32(26(34)35)15-19-7-8-20(27)13-21(19)28/h3-10,13-14,23H,2,11-12,15-16H2,1H3,(H,34,35).
What are the key properties of (2,4-dichlorophenyl)methyl-[5-[4-(4-ethylmorpholin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid?
(2,4-dichlorophenyl)methyl-[5-[4-(4-ethylmorpholin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid has a molecular weight of 526.42 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl-[5-[4-(4-ethylmorpholin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamic acid is sourced from PubChem (CID 68958335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).