(8R)-8-methyl-11-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-9,12-diazatricyclo[8.4.0.02,5]tetradeca-1(10),11,13-trien-6-one

C25H26N6O — CID 145058153

IUPAC(8R)-8-methyl-11-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-9,12-diazatricyclo[8.4.0.02,5]tetradeca-1(10),11,13-trien-6-one
SMILESC[C@@H]1CC(=O)C2CCC2c2ccnc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2N1
InChIInChI=1S/C25H26N6O/c1-14-10-22(32)18-6-5-17(18)19-8-9-26-24(25(19)28-14)15-4-7-21-20(11-15)23(29-31(21)3)16-12-27-30(2)13-16/h4,7-9,11-14,17-18,28H,5-6,10H2,1-3H3/t14-,17?,18?/m1/s1
InChIKeyXFADEPKPUKWCBB-RWBZWWBESA-N
MW426.52 g/mol
LogP4.30
Rot. Bonds2

About (8R)-8-methyl-11-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-9,12-diazatricyclo[8.4.0.02,5]tetradeca-1(10),11,13-trien-6-one

(8R)-8-methyl-11-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-9,12-diazatricyclo[8.4.0.02,5]tetradeca-1(10),11,13-trien-6-one (PubChem CID 145058153) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is (8R)-8-methyl-11-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-9,12-diazatricyclo[8.4.0.02,5]tetradeca-1(10),11,13-trien-6-one.

Molecular Properties

Compound Name(8R)-8-methyl-11-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-9,12-diazatricyclo[8.4.0.02,5]tetradeca-1(10),11,13-trien-6-one
PubChem CID145058153
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name(8R)-8-methyl-11-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-9,12-diazatricyclo[8.4.0.02,5]tetradeca-1(10),11,13-trien-6-one
SMILESC[C@@H]1CC(=O)C2CCC2c2ccnc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2N1
InChIInChI=1S/C25H26N6O/c1-14-10-22(32)18-6-5-17(18)19-8-9-26-24(25(19)28-14)15-4-7-21-20(11-15)23(29-31(21)3)16-12-27-30(2)13-16/h4,7-9,11-14,17-18,28H,5-6,10H2,1-3H3/t14-,17?,18?/m1/s1
InChIKeyXFADEPKPUKWCBB-RWBZWWBESA-N
XLogP4.30
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (8R)-8-methyl-11-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-9,12-diazatricyclo[8.4.0.02,5]tetradeca-1(10),11,13-trien-6-one with MolForge

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Related Compounds

(4R)-4-methyl-6-[3-(1-methylpyrazol-4-yl)-1-(2-piperazin-1-ylethyl)indazol-5-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 176983328
5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole
CID 158800089
1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethanethiol
CID 176982722
methyl-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]ethyl]sulfanium
CID 176985413
carbamoyl 8-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,7-naphthyridine-6-carboxylate
CID 175346570
(2R)-6-chloro-9-(3-cyclopropyl-1-methylindazol-5-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one
CID 152947357
(2R)-2-methyl-9-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,2,3,5-tetrahydro-1-benzazepin-4-one
CID 147623415
(2R)-6-chloro-9-(3-cyclopropyl-1-methylindazol-5-yl)-2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 121271773
1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 139530508
1-[3-(1,1-dioxothian-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
CID 157123693
tert-butyl 1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 139543388
3-(3,6-dihydro-2H-thiopyran-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde
CID 139556360

Frequently Asked Questions

What is the IUPAC name of (8R)-8-methyl-11-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-9,12-diazatricyclo[8.4.0.02,5]tetradeca-1(10),11,13-trien-6-one?
The IUPAC name of (8R)-8-methyl-11-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-9,12-diazatricyclo[8.4.0.02,5]tetradeca-1(10),11,13-trien-6-one (CID 145058153) is (8R)-8-methyl-11-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-9,12-diazatricyclo[8.4.0.02,5]tetradeca-1(10),11,13-trien-6-one.
What is the SMILES notation for (8R)-8-methyl-11-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-9,12-diazatricyclo[8.4.0.02,5]tetradeca-1(10),11,13-trien-6-one?
The canonical SMILES for (8R)-8-methyl-11-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-9,12-diazatricyclo[8.4.0.02,5]tetradeca-1(10),11,13-trien-6-one is C[C@@H]1CC(=O)C2CCC2c2ccnc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2N1.
What is the InChIKey of (8R)-8-methyl-11-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-9,12-diazatricyclo[8.4.0.02,5]tetradeca-1(10),11,13-trien-6-one?
The InChIKey is XFADEPKPUKWCBB-RWBZWWBESA-N. The full InChI is InChI=1S/C25H26N6O/c1-14-10-22(32)18-6-5-17(18)19-8-9-26-24(25(19)28-14)15-4-7-21-20(11-15)23(29-31(21)3)16-12-27-30(2)13-16/h4,7-9,11-14,17-18,28H,5-6,10H2,1-3H3/t14-,17?,18?/m1/s1.
What are the key properties of (8R)-8-methyl-11-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-9,12-diazatricyclo[8.4.0.02,5]tetradeca-1(10),11,13-trien-6-one?
(8R)-8-methyl-11-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-9,12-diazatricyclo[8.4.0.02,5]tetradeca-1(10),11,13-trien-6-one has a molecular weight of 426.52 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-methyl-11-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-9,12-diazatricyclo[8.4.0.02,5]tetradeca-1(10),11,13-trien-6-one is sourced from PubChem (CID 145058153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).