7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine

C25H25N9O — CID 117078265

IUPAC7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
SMILESCc1n[nH]c(C)c1-c1ccc2cnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)nc2c1
InChIInChI=1S/C25H25N9O/c1-16-23(17(2)31-30-16)18-3-4-19-14-26-24(29-22(19)13-18)28-20-5-7-21(8-6-20)34-15-27-25(32-34)33-9-11-35-12-10-33/h3-8,13-15H,9-12H2,1-2H3,(H,30,31)(H,26,28,29)
InChIKeySXSVAFAJDDNMAV-UHFFFAOYSA-N
MW467.54 g/mol
LogP3.80
Rot. Bonds5

About 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine

7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine (PubChem CID 117078265) has the molecular formula C25H25N9O and a molecular weight of 467.54 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine.

Molecular Properties

Compound Name7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
PubChem CID117078265
Molecular FormulaC25H25N9O
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC Name7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
SMILESCc1n[nH]c(C)c1-c1ccc2cnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)nc2c1
InChIInChI=1S/C25H25N9O/c1-16-23(17(2)31-30-16)18-3-4-19-14-26-24(29-22(19)13-18)28-20-5-7-21(8-6-20)34-15-27-25(32-34)33-9-11-35-12-10-33/h3-8,13-15H,9-12H2,1-2H3,(H,30,31)(H,26,28,29)
InChIKeySXSVAFAJDDNMAV-UHFFFAOYSA-N
XLogP3.80
TPSA109.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine 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

7-(5-methyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
CID 117078263
N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine
CID 117078244
1-[1-[4-[[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol
CID 117078519
3-(dimethylamino)-5-[2-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile
CID 59587998
4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 25221250
N-[4-(3-tert-butyl-1,2,4-triazol-1-yl)phenyl]-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]pyrimidin-2-amine
CID 117078708
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
1-cyclopropyl-2-[7-(4-morpholin-4-ylphenyl)quinazolin-2-yl]hydrazine
CID 175553566
6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
CID 25018564
1-[[4-[4-[2-[4-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]phenyl]methyl]-1,3-diazinane-2,4-dione
CID 177197565
7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine
CID 177197629
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine?
The IUPAC name of 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine (CID 117078265) is 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine.
What is the SMILES notation for 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine?
The canonical SMILES for 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine is Cc1n[nH]c(C)c1-c1ccc2cnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)nc2c1.
What is the InChIKey of 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine?
The InChIKey is SXSVAFAJDDNMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O/c1-16-23(17(2)31-30-16)18-3-4-19-14-26-24(29-22(19)13-18)28-20-5-7-21(8-6-20)34-15-27-25(32-34)33-9-11-35-12-10-33/h3-8,13-15H,9-12H2,1-2H3,(H,30,31)(H,26,28,29).
What are the key properties of 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine?
7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine has a molecular weight of 467.54 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine is sourced from PubChem (CID 117078265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).