4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine

C96H101F4N33O6 — CID 162132351

IUPAC4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESCNc1cc(F)cc2c1Cc1nc(Oc3cnc(C)nc3)nc(N3C[C@H](N)C4(CC4)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(N4CCOCC4)nc3)nc(N3CC4C(N)C4C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(N4CCOCC4)nc3)nc(N3CC[C@H](N)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cncc(-c4nnn(C)n4)c3)nc(N3CC4C(N)C4C3)c1-2
InChIInChI=1S/C25H27FN8O2.C24H23FN10O.C24H27FN8O2.C23H24FN7O/c1-28-19-7-13(26)6-16-15(19)8-20-21(16)23(34-11-17-18(12-34)22(17)27)32-25(31-20)36-14-9-29-24(30-10-14)33-2-4-35-5-3-33;1-27-18-5-12(25)4-15-14(18)6-19-20(15)23(35-9-16-17(10-35)21(16)26)30-24(29-19)36-13-3-11(7-28-8-13)22-31-33-34(2)32-22;1-27-19-9-14(25)8-18-17(19)10-20-21(18)22(33-3-2-15(26)13-33)31-24(30-20)35-16-11-28-23(29-12-16)32-4-6-34-7-5-32;1-12-27-8-14(9-28-12)32-22-29-18-7-15-16(5-13(24)6-17(15)26-2)20(18)21(30-22)31-10-19(25)23(11-31)3-4-23/h6-7,9-10,17-18,22,28H,2-5,8,11-12,27H2,1H3;3-5,7-8,16-17,21,27H,6,9-10,26H2,1-2H3;8-9,11-12,15,27H,2-7,10,13,26H2,1H3;5-6,8-9,19,26H,3-4,7,10-11,25H2,1-2H3/t;;15-;19-/m..00/s1
InChIKeyZIVDRRMLTLXBIR-BVSBSTDHSA-N
MW1889.08 g/mol
LogP9.27
Rot. Bonds19

About 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine

4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine (PubChem CID 162132351) has the molecular formula C96H101F4N33O6 and a molecular weight of 1889.08 g/mol. Its IUPAC name is 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine.

Molecular Properties

Compound Name4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine
PubChem CID162132351
Molecular FormulaC96H101F4N33O6
Molecular Weight1889.08 g/mol
Exact Mass1887.85
IUPAC Name4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESCNc1cc(F)cc2c1Cc1nc(Oc3cnc(C)nc3)nc(N3C[C@H](N)C4(CC4)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(N4CCOCC4)nc3)nc(N3CC4C(N)C4C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(N4CCOCC4)nc3)nc(N3CC[C@H](N)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cncc(-c4nnn(C)n4)c3)nc(N3CC4C(N)C4C3)c1-2
InChIInChI=1S/C25H27FN8O2.C24H23FN10O.C24H27FN8O2.C23H24FN7O/c1-28-19-7-13(26)6-16-15(19)8-20-21(16)23(34-11-17-18(12-34)22(17)27)32-25(31-20)36-14-9-29-24(30-10-14)33-2-4-35-5-3-33;1-27-18-5-12(25)4-15-14(18)6-19-20(15)23(35-9-16-17(10-35)21(16)26)30-24(29-19)36-13-3-11(7-28-8-13)22-31-33-34(2)32-22;1-27-19-9-14(25)8-18-17(19)10-20-21(18)22(33-3-2-15(26)13-33)31-24(30-20)35-16-11-28-23(29-12-16)32-4-6-34-7-5-32;1-12-27-8-14(9-28-12)32-22-29-18-7-15-16(5-13(24)6-17(15)26-2)20(18)21(30-22)31-10-19(25)23(11-31)3-4-23/h6-7,9-10,17-18,22,28H,2-5,8,11-12,27H2,1H3;3-5,7-8,16-17,21,27H,6,9-10,26H2,1-2H3;8-9,11-12,15,27H,2-7,10,13,26H2,1H3;5-6,8-9,19,26H,3-4,7,10-11,25H2,1-2H3/t;;15-;19-/m..00/s1
InChIKeyZIVDRRMLTLXBIR-BVSBSTDHSA-N
XLogP9.27
TPSA463.97 Ų
H-Bond Donors8
H-Bond Acceptors39
Rotatable Bonds19
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001889.08
LogP ≤ 59.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1039

Analyze 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine?
The IUPAC name of 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine (CID 162132351) is 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine.
What is the SMILES notation for 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine?
The canonical SMILES for 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine is CNc1cc(F)cc2c1Cc1nc(Oc3cnc(C)nc3)nc(N3C[C@H](N)C4(CC4)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(N4CCOCC4)nc3)nc(N3CC4C(N)C4C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(N4CCOCC4)nc3)nc(N3CC[C@H](N)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cncc(-c4nnn(C)n4)c3)nc(N3CC4C(N)C4C3)c1-2.
What is the InChIKey of 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine?
The InChIKey is ZIVDRRMLTLXBIR-BVSBSTDHSA-N. The full InChI is InChI=1S/C25H27FN8O2.C24H23FN10O.C24H27FN8O2.C23H24FN7O/c1-28-19-7-13(26)6-16-15(19)8-20-21(16)23(34-11-17-18(12-34)22(17)27)32-25(31-20)36-14-9-29-24(30-10-14)33-2-4-35-5-3-33;1-27-18-5-12(25)4-15-14(18)6-19-20(15)23(35-9-16-17(10-35)21(16)26)30-24(29-19)36-13-3-11(7-28-8-13)22-31-33-34(2)32-22;1-27-19-9-14(25)8-18-17(19)10-20-21(18)22(33-3-2-15(26)13-33)31-24(30-20)35-16-11-28-23(29-12-16)32-4-6-34-7-5-32;1-12-27-8-14(9-28-12)32-22-29-18-7-15-16(5-13(24)6-17(15)26-2)20(18)21(30-22)31-10-19(25)23(11-31)3-4-23/h6-7,9-10,17-18,22,28H,2-5,8,11-12,27H2,1H3;3-5,7-8,16-17,21,27H,6,9-10,26H2,1-2H3;8-9,11-12,15,27H,2-7,10,13,26H2,1H3;5-6,8-9,19,26H,3-4,7,10-11,25H2,1-2H3/t;;15-;19-/m..00/s1.
What are the key properties of 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine?
4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine has a molecular weight of 1889.08 g/mol, XLogP of 9.27, 19 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[[5-(2-methyltetrazol-5-yl)-3-pyridinyl]oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine is sourced from PubChem (CID 162132351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).