1-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperidin-4-ol

C22H26N4O — CID 1441698

IUPAC1-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperidin-4-ol
SMILESCc1cccc(-c2cc3nc4c(c(N5CCC(O)CC5)n3n2)CCCC4)c1
InChIInChI=1S/C22H26N4O/c1-15-5-4-6-16(13-15)20-14-21-23-19-8-3-2-7-18(19)22(26(21)24-20)25-11-9-17(27)10-12-25/h4-6,13-14,17,27H,2-3,7-12H2,1H3
InChIKeyXQLZXRAYKJDVFX-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.54
Rot. Bonds2

About 1-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperidin-4-ol

1-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperidin-4-ol (PubChem CID 1441698) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperidin-4-ol
PubChem CID1441698
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperidin-4-ol
SMILESCc1cccc(-c2cc3nc4c(c(N5CCC(O)CC5)n3n2)CCCC4)c1
InChIInChI=1S/C22H26N4O/c1-15-5-4-6-16(13-15)20-14-21-23-19-8-3-2-7-18(19)22(26(21)24-20)25-11-9-17(27)10-12-25/h4-6,13-14,17,27H,2-3,7-12H2,1H3
InChIKeyXQLZXRAYKJDVFX-UHFFFAOYSA-N
XLogP3.54
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]phenyl]ethanone
CID 1441727
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-11-(3-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 1441230
2-(3-fluorophenyl)-9-(3-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 3230127
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-11-(3-fluorophenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 1441247
9-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 3230152
[2,2-dimethyl-3-[[11-(3-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]amino]propyl]-dimethylazanium
CID 7440614
1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol
CID 56771070
11-(3,5-dimethoxyphenyl)-2-piperazin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 1434779
2-chloro-11-(4-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82269902
2-(3,5-dimethoxyphenyl)-9-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 1441877
4-chloro-2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 118037185
11-methyl-2-piperazin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82270592

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperidin-4-ol?
The IUPAC name of 1-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperidin-4-ol (CID 1441698) is 1-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperidin-4-ol is Cc1cccc(-c2cc3nc4c(c(N5CCC(O)CC5)n3n2)CCCC4)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperidin-4-ol?
The InChIKey is XQLZXRAYKJDVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15-5-4-6-16(13-15)20-14-21-23-19-8-3-2-7-18(19)22(26(21)24-20)25-11-9-17(27)10-12-25/h4-6,13-14,17,27H,2-3,7-12H2,1H3.
What are the key properties of 1-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperidin-4-ol?
1-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperidin-4-ol has a molecular weight of 362.48 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperidin-4-ol is sourced from PubChem (CID 1441698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).