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

C27H32N8O — CID 121400808

IUPAC4-[5-(azetidin-1-yl)-2-[(2S)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cccc2ncnc(N3CCCC[C@H]3c3cc4nc(N5CCC5)cc(N5CCOCC5)n4n3)c12
InChIInChI=1S/C27H32N8O/c1-19-6-4-7-20-26(19)27(29-18-28-20)34-11-3-2-8-22(34)21-16-24-30-23(32-9-5-10-32)17-25(35(24)31-21)33-12-14-36-15-13-33/h4,6-7,16-18,22H,2-3,5,8-15H2,1H3/t22-/m0/s1
InChIKeyHUNMKFWMZNNTRA-QFIPXVFZSA-N
MW484.61 g/mol
LogP3.76
Rot. Bonds4

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

4-[5-(azetidin-1-yl)-2-[(2S)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 121400808) has the molecular formula C27H32N8O and a molecular weight of 484.61 g/mol. Its IUPAC name is 4-[5-(azetidin-1-yl)-2-[(2S)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-(azetidin-1-yl)-2-[(2S)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID121400808
Molecular FormulaC27H32N8O
Molecular Weight484.61 g/mol
Exact Mass484.27
IUPAC Name4-[5-(azetidin-1-yl)-2-[(2S)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cccc2ncnc(N3CCCC[C@H]3c3cc4nc(N5CCC5)cc(N5CCOCC5)n4n3)c12
InChIInChI=1S/C27H32N8O/c1-19-6-4-7-20-26(19)27(29-18-28-20)34-11-3-2-8-22(34)21-16-24-30-23(32-9-5-10-32)17-25(35(24)31-21)33-12-14-36-15-13-33/h4,6-7,16-18,22H,2-3,5,8-15H2,1H3/t22-/m0/s1
InChIKeyHUNMKFWMZNNTRA-QFIPXVFZSA-N
XLogP3.76
TPSA74.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(azetidin-1-yl)-2-[(2S)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-(azetidin-1-yl)-2-[(2S)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 121400808) is 4-[5-(azetidin-1-yl)-2-[(2S)-1-(5-methylquinazolin-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-[(2S)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-(azetidin-1-yl)-2-[(2S)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1cccc2ncnc(N3CCCC[C@H]3c3cc4nc(N5CCC5)cc(N5CCOCC5)n4n3)c12.
What is the InChIKey of 4-[5-(azetidin-1-yl)-2-[(2S)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is HUNMKFWMZNNTRA-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H32N8O/c1-19-6-4-7-20-26(19)27(29-18-28-20)34-11-3-2-8-22(34)21-16-24-30-23(32-9-5-10-32)17-25(35(24)31-21)33-12-14-36-15-13-33/h4,6-7,16-18,22H,2-3,5,8-15H2,1H3/t22-/m0/s1.
What are the key properties of 4-[5-(azetidin-1-yl)-2-[(2S)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-(azetidin-1-yl)-2-[(2S)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 484.61 g/mol, XLogP of 3.76, 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-[(2S)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 121400808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).