(11R)-12-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-11-methyl-4-(pyridin-2-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one

C26H25FN6O2 — CID 155366681

IUPAC(11R)-12-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-11-methyl-4-(pyridin-2-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
SMILESCc1c(F)ccc2[nH]c(C(=O)N3Cc4c(nn5c4C(=O)N(Cc4ccccn4)CC5)C[C@H]3C)cc12
InChIInChI=1S/C26H25FN6O2/c1-15-11-22-19(14-32(15)25(34)23-12-18-16(2)20(27)6-7-21(18)29-23)24-26(35)31(9-10-33(24)30-22)13-17-5-3-4-8-28-17/h3-8,12,15,29H,9-11,13-14H2,1-2H3/t15-/m1/s1
InChIKeyXCVAGBJILHHZOC-OAHLLOKOSA-N
MW472.52 g/mol
LogP3.45
Rot. Bonds3

About (11R)-12-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-11-methyl-4-(pyridin-2-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one

(11R)-12-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-11-methyl-4-(pyridin-2-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one (PubChem CID 155366681) has the molecular formula C26H25FN6O2 and a molecular weight of 472.52 g/mol. Its IUPAC name is (11R)-12-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-11-methyl-4-(pyridin-2-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one.

Molecular Properties

Compound Name(11R)-12-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-11-methyl-4-(pyridin-2-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
PubChem CID155366681
Molecular FormulaC26H25FN6O2
Molecular Weight472.52 g/mol
Exact Mass472.20
IUPAC Name(11R)-12-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-11-methyl-4-(pyridin-2-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
SMILESCc1c(F)ccc2[nH]c(C(=O)N3Cc4c(nn5c4C(=O)N(Cc4ccccn4)CC5)C[C@H]3C)cc12
InChIInChI=1S/C26H25FN6O2/c1-15-11-22-19(14-32(15)25(34)23-12-18-16(2)20(27)6-7-21(18)29-23)24-26(35)31(9-10-33(24)30-22)13-17-5-3-4-8-28-17/h3-8,12,15,29H,9-11,13-14H2,1-2H3/t15-/m1/s1
InChIKeyXCVAGBJILHHZOC-OAHLLOKOSA-N
XLogP3.45
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (11R)-12-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-11-methyl-4-(pyridin-2-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11R)-12-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-11-methyl-4-(pyridin-2-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one?
The IUPAC name of (11R)-12-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-11-methyl-4-(pyridin-2-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one (CID 155366681) is (11R)-12-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-11-methyl-4-(pyridin-2-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one.
What is the SMILES notation for (11R)-12-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-11-methyl-4-(pyridin-2-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one?
The canonical SMILES for (11R)-12-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-11-methyl-4-(pyridin-2-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one is Cc1c(F)ccc2[nH]c(C(=O)N3Cc4c(nn5c4C(=O)N(Cc4ccccn4)CC5)C[C@H]3C)cc12.
What is the InChIKey of (11R)-12-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-11-methyl-4-(pyridin-2-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one?
The InChIKey is XCVAGBJILHHZOC-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H25FN6O2/c1-15-11-22-19(14-32(15)25(34)23-12-18-16(2)20(27)6-7-21(18)29-23)24-26(35)31(9-10-33(24)30-22)13-17-5-3-4-8-28-17/h3-8,12,15,29H,9-11,13-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (11R)-12-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-11-methyl-4-(pyridin-2-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one?
(11R)-12-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-11-methyl-4-(pyridin-2-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one has a molecular weight of 472.52 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-12-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-11-methyl-4-(pyridin-2-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one is sourced from PubChem (CID 155366681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).