1-[1-[4-[[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol

C25H25N9O — CID 117078519

IUPAC1-[1-[4-[[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol
SMILESCn1cc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCCC(O)C6)n5)cc4)nc3c2)cn1
InChIInChI=1S/C25H25N9O/c1-32-14-19(13-28-32)17-4-5-18-12-26-24(30-23(18)11-17)29-20-6-8-21(9-7-20)34-16-27-25(31-34)33-10-2-3-22(35)15-33/h4-9,11-14,16,22,35H,2-3,10,15H2,1H3,(H,26,29,30)
InChIKeyGVNVLCKJBUUHQJ-UHFFFAOYSA-N
MW467.54 g/mol
LogP3.32
Rot. Bonds5

About 1-[1-[4-[[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol

1-[1-[4-[[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol (PubChem CID 117078519) has the molecular formula C25H25N9O and a molecular weight of 467.54 g/mol. Its IUPAC name is 1-[1-[4-[[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[1-[4-[[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol
PubChem CID117078519
Molecular FormulaC25H25N9O
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC Name1-[1-[4-[[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol
SMILESCn1cc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCCC(O)C6)n5)cc4)nc3c2)cn1
InChIInChI=1S/C25H25N9O/c1-32-14-19(13-28-32)17-4-5-18-12-26-24(30-23(18)11-17)29-20-6-8-21(9-7-20)34-16-27-25(31-34)33-10-2-3-22(35)15-33/h4-9,11-14,16,22,35H,2-3,10,15H2,1H3,(H,26,29,30)
InChIKeyGVNVLCKJBUUHQJ-UHFFFAOYSA-N
XLogP3.32
TPSA109.81 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[1-[4-[[5-chloro-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol
CID 117078761
7-(1-methylpyrazol-4-yl)-N-[4-[3-(2-methyl-4-pyridinyl)-1,2,4-triazol-1-yl]phenyl]quinazolin-2-amine;2,2,2-trifluoroacetic acid
CID 117078516
N-(4-imidazol-1-ylphenyl)-7-(1-methylpyrazol-4-yl)quinazolin-2-amine;2,2,2-trifluoroacetic acid
CID 117078494
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
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
2-(4-hydroxypiperidin-1-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138587464
(2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide
CID 138591844
5-bromo-4-(1-methylpyrazol-4-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine
CID 117077829
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide
CID 138587907
1-cyclopentyl-7-[4-(3-hydroxypiperidin-1-yl)anilino]pyrimido[4,5-d]pyrimidin-2-one
CID 68860000
5-chloro-4-(1-methylpyrazol-4-yl)-N-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 117078637
1-[4-[[4-(2,3-dimethylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-3-ol
CID 165402825

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol?
The IUPAC name of 1-[1-[4-[[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol (CID 117078519) is 1-[1-[4-[[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol.
What is the SMILES notation for 1-[1-[4-[[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol?
The canonical SMILES for 1-[1-[4-[[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol is Cn1cc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCCC(O)C6)n5)cc4)nc3c2)cn1.
What is the InChIKey of 1-[1-[4-[[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol?
The InChIKey is GVNVLCKJBUUHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O/c1-32-14-19(13-28-32)17-4-5-18-12-26-24(30-23(18)11-17)29-20-6-8-21(9-7-20)34-16-27-25(31-34)33-10-2-3-22(35)15-33/h4-9,11-14,16,22,35H,2-3,10,15H2,1H3,(H,26,29,30).
What are the key properties of 1-[1-[4-[[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol?
1-[1-[4-[[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol has a molecular weight of 467.54 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol is sourced from PubChem (CID 117078519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).