2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol

C17H20N6O — CID 169158124

IUPAC2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol
SMILESCN1CCC(n2cc(Nc3ncc4cccc(O)c4n3)cn2)CC1
InChIInChI=1S/C17H20N6O/c1-22-7-5-14(6-8-22)23-11-13(10-19-23)20-17-18-9-12-3-2-4-15(24)16(12)21-17/h2-4,9-11,14,24H,5-8H2,1H3,(H,18,20,21)
InChIKeySEGVOMMYBKXMST-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.54
Rot. Bonds3

About 2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol

2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol (PubChem CID 169158124) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol.

Molecular Properties

Compound Name2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol
PubChem CID169158124
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol
SMILESCN1CCC(n2cc(Nc3ncc4cccc(O)c4n3)cn2)CC1
InChIInChI=1S/C17H20N6O/c1-22-7-5-14(6-8-22)23-11-13(10-19-23)20-17-18-9-12-3-2-4-15(24)16(12)21-17/h2-4,9-11,14,24H,5-8H2,1H3,(H,18,20,21)
InChIKeySEGVOMMYBKXMST-UHFFFAOYSA-N
XLogP2.54
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158202
4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol
CID 155204644
5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 172824528
2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine
CID 90390043
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine
CID 168990722
N-(1-cyclohexylpyrazol-4-yl)-8-(2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine
CID 158284629
4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline
CID 176676029
ethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 145336742
4-[5-chloro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-N-(cyanomethyl)benzamide
CID 154927982
6-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one
CID 67890844
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 167791806
N-(1-cyanopropyl)-2-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide
CID 175144357

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol?
The IUPAC name of 2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol (CID 169158124) is 2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol.
What is the SMILES notation for 2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol?
The canonical SMILES for 2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol is CN1CCC(n2cc(Nc3ncc4cccc(O)c4n3)cn2)CC1.
What is the InChIKey of 2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol?
The InChIKey is SEGVOMMYBKXMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-22-7-5-14(6-8-22)23-11-13(10-19-23)20-17-18-9-12-3-2-4-15(24)16(12)21-17/h2-4,9-11,14,24H,5-8H2,1H3,(H,18,20,21).
What are the key properties of 2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol?
2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol has a molecular weight of 324.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol is sourced from PubChem (CID 169158124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).