4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline

C19H22N6O — CID 163352979

IUPAC4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline
SMILESc1nc2c(c(N3CCC(Oc4ccn5nccc5n4)CC3)n1)CCCC2
InChIInChI=1S/C19H22N6O/c1-2-4-16-15(3-1)19(21-13-20-16)24-10-6-14(7-11-24)26-18-8-12-25-17(23-18)5-9-22-25/h5,8-9,12-14H,1-4,6-7,10-11H2
InChIKeyMKADTGVSVULFQJ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.45
Rot. Bonds3

About 4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline

4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 163352979) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline
PubChem CID163352979
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline
SMILESc1nc2c(c(N3CCC(Oc4ccn5nccc5n4)CC3)n1)CCCC2
InChIInChI=1S/C19H22N6O/c1-2-4-16-15(3-1)19(21-13-20-16)24-10-6-14(7-11-24)26-18-8-12-25-17(23-18)5-9-22-25/h5,8-9,12-14H,1-4,6-7,10-11H2
InChIKeyMKADTGVSVULFQJ-UHFFFAOYSA-N
XLogP2.45
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline with MolForge

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Related Compounds

4-Ethyl-5-fluoro-6-[(1-{5-methylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)methoxy]pyrimidine
CID 155942111
4-Ethyl-5-fluoro-6-[(1-{pyrazolo[1,5-a]pyrimidin-5-yl}piperidin-4-yl)methoxy]pyrimidine
CID 155980582
2-(4-{Pyrazolo[1,5-a]pyrimidin-5-yloxy}piperidin-1-yl)-5-(trifluoromethyl)pyridine
CID 163352946
2-(4-{Pyrazolo[1,5-a]pyrimidin-5-yloxy}piperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 163352947
2-(4-{Pyrazolo[1,5-a]pyrimidin-5-yloxy}piperidin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 163354815
4-(4-{Pyrazolo[1,5-a]pyrimidin-5-yloxy}piperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 163354817
4-Ethyl-5-fluoro-6-(4-{pyrazolo[1,5-a]pyrimidin-5-yloxy}piperidin-1-yl)pyrimidine
CID 163354835
2-(4-{Pyrazolo[1,5-a]pyrimidin-5-yloxy}piperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 163354855
2-(4-{Pyrazolo[1,5-a]pyrimidin-5-yloxy}piperidin-1-yl)-6-(trifluoromethyl)pyridine
CID 163354857
2-Methyl-4-(4-{pyrazolo[1,5-a]pyrimidin-5-yloxy}piperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 163354876
4-Ethoxy-10-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10376470
Propan-2-yl 4-[6-[methyl-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57571073

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline (CID 163352979) is 4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline is c1nc2c(c(N3CCC(Oc4ccn5nccc5n4)CC3)n1)CCCC2.
What is the InChIKey of 4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is MKADTGVSVULFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-2-4-16-15(3-1)19(21-13-20-16)24-10-6-14(7-11-24)26-18-8-12-25-17(23-18)5-9-22-25/h5,8-9,12-14H,1-4,6-7,10-11H2.
What are the key properties of 4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline?
4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 350.43 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 163352979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).