4-[5-(azetidin-1-yl)-2-[1-(2-chloroquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C26H29ClN8O — CID 121396933

IUPAC4-[5-(azetidin-1-yl)-2-[1-(2-chloroquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESClc1nc(N2CCCCC2c2cc3nc(N4CCC4)cc(N4CCOCC4)n3n2)c2ccccc2n1
InChIInChI=1S/C26H29ClN8O/c27-26-28-19-7-2-1-6-18(19)25(30-26)34-11-4-3-8-21(34)20-16-23-29-22(32-9-5-10-32)17-24(35(23)31-20)33-12-14-36-15-13-33/h1-2,6-7,16-17,21H,3-5,8-15H2
InChIKeyVBUNSAKPMDFOSS-UHFFFAOYSA-N
MW505.03 g/mol
LogP4.10
Rot. Bonds4

About 4-[5-(azetidin-1-yl)-2-[1-(2-chloroquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[5-(azetidin-1-yl)-2-[1-(2-chloroquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 121396933) has the molecular formula C26H29ClN8O and a molecular weight of 505.03 g/mol. Its IUPAC name is 4-[5-(azetidin-1-yl)-2-[1-(2-chloroquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-(azetidin-1-yl)-2-[1-(2-chloroquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID121396933
Molecular FormulaC26H29ClN8O
Molecular Weight505.03 g/mol
Exact Mass504.22
IUPAC Name4-[5-(azetidin-1-yl)-2-[1-(2-chloroquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESClc1nc(N2CCCCC2c2cc3nc(N4CCC4)cc(N4CCOCC4)n3n2)c2ccccc2n1
InChIInChI=1S/C26H29ClN8O/c27-26-28-19-7-2-1-6-18(19)25(30-26)34-11-4-3-8-21(34)20-16-23-29-22(32-9-5-10-32)17-24(35(23)31-20)33-12-14-36-15-13-33/h1-2,6-7,16-17,21H,3-5,8-15H2
InChIKeyVBUNSAKPMDFOSS-UHFFFAOYSA-N
XLogP4.10
TPSA74.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.03
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
Pyrazolo pyrimidine, 5k
CID 25196900
Pyrazolo pyrimidine, 5l
CID 44520816
4-[3-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 86582454
Pyrazolo pyrimidine, 5i
CID 44520814
Pyrazolo pyrimidine, 5n
CID 44520818
Pyrazolo pyrimidine, 5j
CID 44520815
4-(2-(2-(6-(Pyrrolidin-1-yl)pyridin-2-yl)ethyl)quinazolin-4-yl)morpholine
CID 72706604
5-Methyl-9-(4-morpholinyl)benzimidazo[2,1-a]phthalazine
CID 955835
N-(6-(3H-imidazo[4,5-b]pyridin-6-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 53321410
4-[2-Methyl-3-[1-(quinolin-2-ylmethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 71139236
2-[4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one
CID 117728473

Frequently Asked Questions

What is the IUPAC name of 4-[5-(azetidin-1-yl)-2-[1-(2-chloroquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-(azetidin-1-yl)-2-[1-(2-chloroquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 121396933) is 4-[5-(azetidin-1-yl)-2-[1-(2-chloroquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-(azetidin-1-yl)-2-[1-(2-chloroquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-(azetidin-1-yl)-2-[1-(2-chloroquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Clc1nc(N2CCCCC2c2cc3nc(N4CCC4)cc(N4CCOCC4)n3n2)c2ccccc2n1.
What is the InChIKey of 4-[5-(azetidin-1-yl)-2-[1-(2-chloroquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is VBUNSAKPMDFOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN8O/c27-26-28-19-7-2-1-6-18(19)25(30-26)34-11-4-3-8-21(34)20-16-23-29-22(32-9-5-10-32)17-24(35(23)31-20)33-12-14-36-15-13-33/h1-2,6-7,16-17,21H,3-5,8-15H2.
What are the key properties of 4-[5-(azetidin-1-yl)-2-[1-(2-chloroquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-(azetidin-1-yl)-2-[1-(2-chloroquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 505.03 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(azetidin-1-yl)-2-[1-(2-chloroquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 121396933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).