(5aR,6R,9aS)-3-(cyclobutylmethyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-3-(2-fluorophenyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(4-methylphenyl)-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one

C149H131FN20O5 — CID 159716833

IUPAC(5aR,6R,9aS)-3-(cyclobutylmethyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-3-(2-fluorophenyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(4-methylphenyl)-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one
SMILES[C-]#[N+]C1=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4F)c3CC[C@@H]2[C@@H](C)C1=O.[C-]#[N+]C1=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(-c4ccncn4)c3CC[C@@H]2[C@@H](C)C1=O.[C-]#[N+]C1=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(CC4CCC4)c3CC[C@@H]2[C@@H](C)C1=O.[C-]#[N+]C1=C[C@@]2(C)c3nn(-c4cccc(-c5ccccc5)c4)c(-c4ccncn4)c3CC[C@@H]2[C@@H](C)C1=O.[C-]#[N+]C1=C[C@@]2(C)c3nn(-c4ccncc4)c(-c4ccc(C)cc4)c3CC[C@@H]2[C@@H](C)C1=O
InChIInChI=1S/C32H26FN3O.C31H31N3O.2C30H25N5O.C26H24N4O/c1-20-26-18-17-25-29(24-11-7-8-12-27(24)33)36(35-31(25)32(26,2)19-28(34-3)30(20)37)23-15-13-22(14-16-23)21-9-5-4-6-10-21;1-20-26-17-16-25-28(18-21-8-7-9-21)34(33-30(25)31(26,2)19-27(32-3)29(20)35)24-14-12-23(13-15-24)22-10-5-4-6-11-22;1-19-24-13-12-23-27(25-14-15-32-18-33-25)35(34-29(23)30(24,2)17-26(31-3)28(19)36)22-11-7-10-21(16-22)20-8-5-4-6-9-20;1-19-24-14-13-23-27(25-15-16-32-18-33-25)35(34-29(23)30(24,2)17-26(31-3)28(19)36)22-11-9-21(10-12-22)20-7-5-4-6-8-20;1-16-5-7-18(8-6-16)23-20-9-10-21-17(2)24(31)22(27-4)15-26(21,3)25(20)29-30(23)19-11-13-28-14-12-19/h4-16,19-20,26H,17-18H2,1-2H3;4-6,10-15,19-21,26H,7-9,16-18H2,1-2H3;4-11,14-19,24H,12-13H2,1-2H3;4-12,15-19,24H,13-14H2,1-2H3;5-8,11-15,17,21H,9-10H2,1-3H3/t20-,26-,32-;20-,26-,31-;2*19-,24-,30-;17-,21-,26-/m11111/s1
InChIKeyMZNQGINFXWIBQH-WDIAZIMMSA-N
MW2300.82 g/mol
LogP30.67
Rot. Bonds15

About (5aR,6R,9aS)-3-(cyclobutylmethyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-3-(2-fluorophenyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(4-methylphenyl)-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one

(5aR,6R,9aS)-3-(cyclobutylmethyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-3-(2-fluorophenyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(4-methylphenyl)-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one (PubChem CID 159716833) has the molecular formula C149H131FN20O5 and a molecular weight of 2300.82 g/mol. Its IUPAC name is (5aR,6R,9aS)-3-(cyclobutylmethyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-3-(2-fluorophenyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(4-methylphenyl)-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one.

Molecular Properties

Compound Name(5aR,6R,9aS)-3-(cyclobutylmethyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-3-(2-fluorophenyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(4-methylphenyl)-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one
PubChem CID159716833
Molecular FormulaC149H131FN20O5
Molecular Weight2300.82 g/mol
Exact Mass2299.06
IUPAC Name(5aR,6R,9aS)-3-(cyclobutylmethyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-3-(2-fluorophenyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(4-methylphenyl)-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one
SMILES[C-]#[N+]C1=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4F)c3CC[C@@H]2[C@@H](C)C1=O.[C-]#[N+]C1=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(-c4ccncn4)c3CC[C@@H]2[C@@H](C)C1=O.[C-]#[N+]C1=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(CC4CCC4)c3CC[C@@H]2[C@@H](C)C1=O.[C-]#[N+]C1=C[C@@]2(C)c3nn(-c4cccc(-c5ccccc5)c4)c(-c4ccncn4)c3CC[C@@H]2[C@@H](C)C1=O.[C-]#[N+]C1=C[C@@]2(C)c3nn(-c4ccncc4)c(-c4ccc(C)cc4)c3CC[C@@H]2[C@@H](C)C1=O
InChIInChI=1S/C32H26FN3O.C31H31N3O.2C30H25N5O.C26H24N4O/c1-20-26-18-17-25-29(24-11-7-8-12-27(24)33)36(35-31(25)32(26,2)19-28(34-3)30(20)37)23-15-13-22(14-16-23)21-9-5-4-6-10-21;1-20-26-17-16-25-28(18-21-8-7-9-21)34(33-30(25)31(26,2)19-27(32-3)29(20)35)24-14-12-23(13-15-24)22-10-5-4-6-11-22;1-19-24-13-12-23-27(25-14-15-32-18-33-25)35(34-29(23)30(24,2)17-26(31-3)28(19)36)22-11-7-10-21(16-22)20-8-5-4-6-9-20;1-19-24-14-13-23-27(25-15-16-32-18-33-25)35(34-29(23)30(24,2)17-26(31-3)28(19)36)22-11-9-21(10-12-22)20-7-5-4-6-8-20;1-16-5-7-18(8-6-16)23-20-9-10-21-17(2)24(31)22(27-4)15-26(21,3)25(20)29-30(23)19-11-13-28-14-12-19/h4-16,19-20,26H,17-18H2,1-2H3;4-6,10-15,19-21,26H,7-9,16-18H2,1-2H3;4-11,14-19,24H,12-13H2,1-2H3;4-12,15-19,24H,13-14H2,1-2H3;5-8,11-15,17,21H,9-10H2,1-3H3/t20-,26-,32-;20-,26-,31-;2*19-,24-,30-;17-,21-,26-/m11111/s1
InChIKeyMZNQGINFXWIBQH-WDIAZIMMSA-N
XLogP30.67
TPSA260.70 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002300.82
LogP ≤ 530.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze (5aR,6R,9aS)-3-(cyclobutylmethyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-3-(2-fluorophenyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(4-methylphenyl)-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5aR,6R,9aS)-3-(cyclobutylmethyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-3-(2-fluorophenyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(4-methylphenyl)-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one?
The IUPAC name of (5aR,6R,9aS)-3-(cyclobutylmethyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-3-(2-fluorophenyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(4-methylphenyl)-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one (CID 159716833) is (5aR,6R,9aS)-3-(cyclobutylmethyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-3-(2-fluorophenyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(4-methylphenyl)-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one.
What is the SMILES notation for (5aR,6R,9aS)-3-(cyclobutylmethyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-3-(2-fluorophenyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(4-methylphenyl)-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one?
The canonical SMILES for (5aR,6R,9aS)-3-(cyclobutylmethyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-3-(2-fluorophenyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(4-methylphenyl)-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one is [C-]#[N+]C1=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4F)c3CC[C@@H]2[C@@H](C)C1=O.[C-]#[N+]C1=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(-c4ccncn4)c3CC[C@@H]2[C@@H](C)C1=O.[C-]#[N+]C1=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(CC4CCC4)c3CC[C@@H]2[C@@H](C)C1=O.[C-]#[N+]C1=C[C@@]2(C)c3nn(-c4cccc(-c5ccccc5)c4)c(-c4ccncn4)c3CC[C@@H]2[C@@H](C)C1=O.[C-]#[N+]C1=C[C@@]2(C)c3nn(-c4ccncc4)c(-c4ccc(C)cc4)c3CC[C@@H]2[C@@H](C)C1=O.
What is the InChIKey of (5aR,6R,9aS)-3-(cyclobutylmethyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-3-(2-fluorophenyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(4-methylphenyl)-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one?
The InChIKey is MZNQGINFXWIBQH-WDIAZIMMSA-N. The full InChI is InChI=1S/C32H26FN3O.C31H31N3O.2C30H25N5O.C26H24N4O/c1-20-26-18-17-25-29(24-11-7-8-12-27(24)33)36(35-31(25)32(26,2)19-28(34-3)30(20)37)23-15-13-22(14-16-23)21-9-5-4-6-10-21;1-20-26-17-16-25-28(18-21-8-7-9-21)34(33-30(25)31(26,2)19-27(32-3)29(20)35)24-14-12-23(13-15-24)22-10-5-4-6-11-22;1-19-24-13-12-23-27(25-14-15-32-18-33-25)35(34-29(23)30(24,2)17-26(31-3)28(19)36)22-11-7-10-21(16-22)20-8-5-4-6-9-20;1-19-24-14-13-23-27(25-15-16-32-18-33-25)35(34-29(23)30(24,2)17-26(31-3)28(19)36)22-11-9-21(10-12-22)20-7-5-4-6-8-20;1-16-5-7-18(8-6-16)23-20-9-10-21-17(2)24(31)22(27-4)15-26(21,3)25(20)29-30(23)19-11-13-28-14-12-19/h4-16,19-20,26H,17-18H2,1-2H3;4-6,10-15,19-21,26H,7-9,16-18H2,1-2H3;4-11,14-19,24H,12-13H2,1-2H3;4-12,15-19,24H,13-14H2,1-2H3;5-8,11-15,17,21H,9-10H2,1-3H3/t20-,26-,32-;20-,26-,31-;2*19-,24-,30-;17-,21-,26-/m11111/s1.
What are the key properties of (5aR,6R,9aS)-3-(cyclobutylmethyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-3-(2-fluorophenyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(4-methylphenyl)-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one?
(5aR,6R,9aS)-3-(cyclobutylmethyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-3-(2-fluorophenyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(4-methylphenyl)-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one has a molecular weight of 2300.82 g/mol, XLogP of 30.67, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,6R,9aS)-3-(cyclobutylmethyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-3-(2-fluorophenyl)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-(4-methylphenyl)-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one is sourced from PubChem (CID 159716833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).