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

C24H23N9O — CID 117078263

IUPAC7-(5-methyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
SMILESCc1[nH]ncc1-c1ccc2cnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)nc2c1
InChIInChI=1S/C24H23N9O/c1-16-21(14-27-30-16)17-2-3-18-13-25-23(29-22(18)12-17)28-19-4-6-20(7-5-19)33-15-26-24(31-33)32-8-10-34-11-9-32/h2-7,12-15H,8-11H2,1H3,(H,27,30)(H,25,28,29)
InChIKeyWAFOINUZQFZYBK-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.49
Rot. Bonds5

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

7-(5-methyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine (PubChem CID 117078263) has the molecular formula C24H23N9O and a molecular weight of 453.51 g/mol. Its IUPAC name is 7-(5-methyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine.

Molecular Properties

Compound Name7-(5-methyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
PubChem CID117078263
Molecular FormulaC24H23N9O
Molecular Weight453.51 g/mol
Exact Mass453.20
IUPAC Name7-(5-methyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
SMILESCc1[nH]ncc1-c1ccc2cnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)nc2c1
InChIInChI=1S/C24H23N9O/c1-16-21(14-27-30-16)17-2-3-18-13-25-23(29-22(18)12-17)28-19-4-6-20(7-5-19)33-15-26-24(31-33)32-8-10-34-11-9-32/h2-7,12-15H,8-11H2,1H3,(H,27,30)(H,25,28,29)
InChIKeyWAFOINUZQFZYBK-UHFFFAOYSA-N
XLogP3.49
TPSA109.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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
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
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-(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
4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)phenyl]-N-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 117078067
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
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
3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 177197695
N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 42629191

Frequently Asked Questions

What is the IUPAC name of 7-(5-methyl-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-(5-methyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine (CID 117078263) is 7-(5-methyl-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-(5-methyl-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-(5-methyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine is Cc1[nH]ncc1-c1ccc2cnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)nc2c1.
What is the InChIKey of 7-(5-methyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine?
The InChIKey is WAFOINUZQFZYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O/c1-16-21(14-27-30-16)17-2-3-18-13-25-23(29-22(18)12-17)28-19-4-6-20(7-5-19)33-15-26-24(31-33)32-8-10-34-11-9-32/h2-7,12-15H,8-11H2,1H3,(H,27,30)(H,25,28,29).
What are the key properties of 7-(5-methyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine?
7-(5-methyl-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 453.51 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-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 117078263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).