4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol

C57H134ClF3N16O4P62 — CID 159548194

IUPAC4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol
SMILESCOCCO.Cc1cccc2ncnc(N3CCCCC3c3cc4nc(N5CCC5)cc(N5CCOCC5)n4n3)c12.FC(F)(F)c1cccc2ncnc(Cl)c12.PP(P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.c1c(N2CCC2)nc2cc(C3CCCCN3)nn2c1N1CCOCC1
InChIInChI=1S/C27H32N8O.C18H26N6O.C9H4ClF3N2.C3H8O2.H64P62/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;1-2-5-19-14(4-1)15-12-17-20-16(22-6-3-7-22)13-18(24(17)21-15)23-8-10-25-11-9-23;10-8-7-5(9(11,12)13)2-1-3-6(7)14-4-15-8;1-5-3-2-4;1-33(2)49(34(3)4)57(50(35(5)6)36(7)8)61(58(51(37(9)10)38(11)12)52(39(13)14)40(15)16)62(59(53(41(17)18)42(19)20)54(43(21)22)44(23)24)60(55(45(25)26)46(27)28)56(47(29)30)48(31)32/h4,6-7,16-18,22H,2-3,5,8-15H2,1H3;12-14,19H,1-11H2;1-4H;4H,2-3H2,1H3;1-32H2
InChIKeyMFBGPNPGQRDZCP-UHFFFAOYSA-N
MW3120.64 g/mol
LogP44.54
Rot. Bonds38

About 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol

4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol (PubChem CID 159548194) has the molecular formula C57H134ClF3N16O4P62 and a molecular weight of 3120.64 g/mol. Its IUPAC name is 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol.

Molecular Properties

Compound Name4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol
PubChem CID159548194
Molecular FormulaC57H134ClF3N16O4P62
Molecular Weight3120.64 g/mol
Exact Mass3119.41
IUPAC Name4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol
SMILESCOCCO.Cc1cccc2ncnc(N3CCCCC3c3cc4nc(N5CCC5)cc(N5CCOCC5)n4n3)c12.FC(F)(F)c1cccc2ncnc(Cl)c12.PP(P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.c1c(N2CCC2)nc2cc(C3CCCCN3)nn2c1N1CCOCC1
InChIInChI=1S/C27H32N8O.C18H26N6O.C9H4ClF3N2.C3H8O2.H64P62/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;1-2-5-19-14(4-1)15-12-17-20-16(22-6-3-7-22)13-18(24(17)21-15)23-8-10-25-11-9-23;10-8-7-5(9(11,12)13)2-1-3-6(7)14-4-15-8;1-5-3-2-4;1-33(2)49(34(3)4)57(50(35(5)6)36(7)8)61(58(51(37(9)10)38(11)12)52(39(13)14)40(15)16)62(59(53(41(17)18)42(19)20)54(43(21)22)44(23)24)60(55(45(25)26)46(27)28)56(47(29)30)48(31)32/h4,6-7,16-18,22H,2-3,5,8-15H2,1H3;12-14,19H,1-11H2;1-4H;4H,2-3H2,1H3;1-32H2
InChIKeyMFBGPNPGQRDZCP-UHFFFAOYSA-N
XLogP44.54
TPSA188.09 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds38
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003120.64
LogP ≤ 544.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol?
The IUPAC name of 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol (CID 159548194) is 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol.
What is the SMILES notation for 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol?
The canonical SMILES for 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol is COCCO.Cc1cccc2ncnc(N3CCCCC3c3cc4nc(N5CCC5)cc(N5CCOCC5)n4n3)c12.FC(F)(F)c1cccc2ncnc(Cl)c12.PP(P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.c1c(N2CCC2)nc2cc(C3CCCCN3)nn2c1N1CCOCC1.
What is the InChIKey of 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol?
The InChIKey is MFBGPNPGQRDZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O.C18H26N6O.C9H4ClF3N2.C3H8O2.H64P62/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;1-2-5-19-14(4-1)15-12-17-20-16(22-6-3-7-22)13-18(24(17)21-15)23-8-10-25-11-9-23;10-8-7-5(9(11,12)13)2-1-3-6(7)14-4-15-8;1-5-3-2-4;1-33(2)49(34(3)4)57(50(35(5)6)36(7)8)61(58(51(37(9)10)38(11)12)52(39(13)14)40(15)16)62(59(53(41(17)18)42(19)20)54(43(21)22)44(23)24)60(55(45(25)26)46(27)28)56(47(29)30)48(31)32/h4,6-7,16-18,22H,2-3,5,8-15H2,1H3;12-14,19H,1-11H2;1-4H;4H,2-3H2,1H3;1-32H2.
What are the key properties of 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol?
4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol has a molecular weight of 3120.64 g/mol, XLogP of 44.54, 38 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol is sourced from PubChem (CID 159548194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).