N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide

C23H19F2N5O2 — CID 42567120

IUPACN-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide
SMILESO=C(COc1ncnc2ccccc12)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1
InChIInChI=1S/C23H19F2N5O2/c24-14-8-15(25)10-16(9-14)30-21-7-3-6-20(18(21)11-28-30)29-22(31)12-32-23-17-4-1-2-5-19(17)26-13-27-23/h1-2,4-5,8-11,13,20H,3,6-7,12H2,(H,29,31)/t20-/m0/s1
InChIKeyLMUCIMIRFBOCLN-FQEVSTJZSA-N
MW435.43 g/mol
LogP3.67
Rot. Bonds5

About N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide

N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide (PubChem CID 42567120) has the molecular formula C23H19F2N5O2 and a molecular weight of 435.43 g/mol. Its IUPAC name is N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide
PubChem CID42567120
Molecular FormulaC23H19F2N5O2
Molecular Weight435.43 g/mol
Exact Mass435.15
IUPAC NameN-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide
SMILESO=C(COc1ncnc2ccccc12)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1
InChIInChI=1S/C23H19F2N5O2/c24-14-8-15(25)10-16(9-14)30-21-7-3-6-20(18(21)11-28-30)29-22(31)12-32-23-17-4-1-2-5-19(17)26-13-27-23/h1-2,4-5,8-11,13,20H,3,6-7,12H2,(H,29,31)/t20-/m0/s1
InChIKeyLMUCIMIRFBOCLN-FQEVSTJZSA-N
XLogP3.67
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide 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

N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide
CID 42567121
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxyacetamide
CID 97125555
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide
CID 97140880
1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea
CID 72856967
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methoxyhexanamide
CID 97132643
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,2-dimethylpropanamide
CID 72864626
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 24791231
1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide
CID 24794165
(4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole
CID 97128287
N-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide
CID 2693322
N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 166631798
N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 26321264

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide (CID 42567120) is N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide is O=C(COc1ncnc2ccccc12)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1.
What is the InChIKey of N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide?
The InChIKey is LMUCIMIRFBOCLN-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H19F2N5O2/c24-14-8-15(25)10-16(9-14)30-21-7-3-6-20(18(21)11-28-30)29-22(31)12-32-23-17-4-1-2-5-19(17)26-13-27-23/h1-2,4-5,8-11,13,20H,3,6-7,12H2,(H,29,31)/t20-/m0/s1.
What are the key properties of N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide?
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide has a molecular weight of 435.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 42567120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).