N-(2,3-difluorophenyl)-2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide

C27H31F2N7O4 — CID 25138094

IUPACN-(2,3-difluorophenyl)-2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide
SMILESCCN(CCO)CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)c2cc1OC
InChIInChI=1S/C27H31F2N7O4/c1-3-35(9-10-37)8-5-11-40-24-13-22-19(12-23(24)39-2)27(31-17-30-22)33-18-14-32-36(15-18)16-25(38)34-21-7-4-6-20(28)26(21)29/h4,6-7,12-15,17,37H,3,5,8-11,16H2,1-2H3,(H,34,38)(H,30,31,33)
InChIKeyNYOGIGBHKYKOEE-UHFFFAOYSA-N
MW555.59 g/mol
LogP3.58
Rot. Bonds14

About N-(2,3-difluorophenyl)-2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide

N-(2,3-difluorophenyl)-2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide (PubChem CID 25138094) has the molecular formula C27H31F2N7O4 and a molecular weight of 555.59 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide
PubChem CID25138094
Molecular FormulaC27H31F2N7O4
Molecular Weight555.59 g/mol
Exact Mass555.24
IUPAC NameN-(2,3-difluorophenyl)-2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide
SMILESCCN(CCO)CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)c2cc1OC
InChIInChI=1S/C27H31F2N7O4/c1-3-35(9-10-37)8-5-11-40-24-13-22-19(12-23(24)39-2)27(31-17-30-22)33-18-14-32-36(15-18)16-25(38)34-21-7-4-6-20(28)26(21)29/h4,6-7,12-15,17,37H,3,5,8-11,16H2,1-2H3,(H,34,38)(H,30,31,33)
InChIKeyNYOGIGBHKYKOEE-UHFFFAOYSA-N
XLogP3.58
TPSA126.66 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.59
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2,3-difluorophenyl)-2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide 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

CID 16007391
CID 16007391
CID 5329032
CID 5329032
CID 44551660
CID 44551660
CID 5494424
CID 5494424
CID 9958417
CID 9958417
CID 10128386
CID 10128386
CID 10153234
CID 10153234
CID 10175126
CID 10175126
CID 10196735
CID 10196735
CID 10196758
CID 10196758
CID 10239608
CID 10239608
CID 10239769
CID 10239769

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide?
The IUPAC name of N-(2,3-difluorophenyl)-2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide (CID 25138094) is N-(2,3-difluorophenyl)-2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-difluorophenyl)-2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide is CCN(CCO)CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)c2cc1OC.
What is the InChIKey of N-(2,3-difluorophenyl)-2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide?
The InChIKey is NYOGIGBHKYKOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N7O4/c1-3-35(9-10-37)8-5-11-40-24-13-22-19(12-23(24)39-2)27(31-17-30-22)33-18-14-32-36(15-18)16-25(38)34-21-7-4-6-20(28)26(21)29/h4,6-7,12-15,17,37H,3,5,8-11,16H2,1-2H3,(H,34,38)(H,30,31,33).
What are the key properties of N-(2,3-difluorophenyl)-2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide?
N-(2,3-difluorophenyl)-2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide has a molecular weight of 555.59 g/mol, XLogP of 3.58, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 25138094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).