5-[(2S)-2-ethylpiperidin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline

C18H22N4 — CID 8933021

IUPAC5-[(2S)-2-ethylpiperidin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline
SMILESCC[C@H]1CCCCN1c1nc2cc(C)nn2c2ccccc12
InChIInChI=1S/C18H22N4/c1-3-14-8-6-7-11-21(14)18-15-9-4-5-10-16(15)22-17(19-18)12-13(2)20-22/h4-5,9-10,12,14H,3,6-8,11H2,1-2H3/t14-/m0/s1
InChIKeyCBRGTEVVSMGETM-AWEZNQCLSA-N
MW294.40 g/mol
LogP3.96
Rot. Bonds2

About 5-[(2S)-2-ethylpiperidin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline

5-[(2S)-2-ethylpiperidin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline (PubChem CID 8933021) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-[(2S)-2-ethylpiperidin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name5-[(2S)-2-ethylpiperidin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline
PubChem CID8933021
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name5-[(2S)-2-ethylpiperidin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline
SMILESCC[C@H]1CCCCN1c1nc2cc(C)nn2c2ccccc12
InChIInChI=1S/C18H22N4/c1-3-14-8-6-7-11-21(14)18-15-9-4-5-10-16(15)22-17(19-18)12-13(2)20-22/h4-5,9-10,12,14H,3,6-8,11H2,1-2H3/t14-/m0/s1
InChIKeyCBRGTEVVSMGETM-AWEZNQCLSA-N
XLogP3.96
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-4-ol
CID 34044694
ethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate
CID 8852975
2-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline
CID 8852980
[1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol
CID 61254969
2-(2-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477885
2-(2-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 104690132
[2-(2-ethylpyrrolidin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 61254337
2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline
CID 8850818
2-methyl-5-[4-(2-nitrophenyl)piperazin-1-yl]pyrazolo[1,5-a]quinazoline
CID 34044557
2-methyl-N-(3-tricyclo[4.2.1.02,5]nonanyl)pyrazolo[1,5-a]quinazolin-5-amine
CID 177262946
2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 43266682
3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline
CID 107079898

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-ethylpiperidin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline?
The IUPAC name of 5-[(2S)-2-ethylpiperidin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline (CID 8933021) is 5-[(2S)-2-ethylpiperidin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline.
What is the SMILES notation for 5-[(2S)-2-ethylpiperidin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline?
The canonical SMILES for 5-[(2S)-2-ethylpiperidin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline is CC[C@H]1CCCCN1c1nc2cc(C)nn2c2ccccc12.
What is the InChIKey of 5-[(2S)-2-ethylpiperidin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline?
The InChIKey is CBRGTEVVSMGETM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N4/c1-3-14-8-6-7-11-21(14)18-15-9-4-5-10-16(15)22-17(19-18)12-13(2)20-22/h4-5,9-10,12,14H,3,6-8,11H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-[(2S)-2-ethylpiperidin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline?
5-[(2S)-2-ethylpiperidin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline has a molecular weight of 294.40 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-ethylpiperidin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline is sourced from PubChem (CID 8933021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).