(11R)-11-methyl-4-(pyridin-2-ylmethyl)-12-[2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one

C25H22F3N7O2 — CID 155366684

IUPAC(11R)-11-methyl-4-(pyridin-2-ylmethyl)-12-[2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
SMILESC[C@@H]1Cc2nn3c(c2CN1C(=O)c1ccn2cc(C(F)(F)F)nc2c1)C(=O)N(Cc1ccccn1)CC3
InChIInChI=1S/C25H22F3N7O2/c1-15-10-19-18(22-24(37)33(8-9-35(22)31-19)12-17-4-2-3-6-29-17)13-34(15)23(36)16-5-7-32-14-20(25(26,27)28)30-21(32)11-16/h2-7,11,14-15H,8-10,12-13H2,1H3/t15-/m1/s1
InChIKeyPXTNWUZTQUCMDR-OAHLLOKOSA-N
MW509.49 g/mol
LogP3.19
Rot. Bonds3

About (11R)-11-methyl-4-(pyridin-2-ylmethyl)-12-[2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one

(11R)-11-methyl-4-(pyridin-2-ylmethyl)-12-[2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one (PubChem CID 155366684) has the molecular formula C25H22F3N7O2 and a molecular weight of 509.49 g/mol. Its IUPAC name is (11R)-11-methyl-4-(pyridin-2-ylmethyl)-12-[2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one.

Molecular Properties

Compound Name(11R)-11-methyl-4-(pyridin-2-ylmethyl)-12-[2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
PubChem CID155366684
Molecular FormulaC25H22F3N7O2
Molecular Weight509.49 g/mol
Exact Mass509.18
IUPAC Name(11R)-11-methyl-4-(pyridin-2-ylmethyl)-12-[2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
SMILESC[C@@H]1Cc2nn3c(c2CN1C(=O)c1ccn2cc(C(F)(F)F)nc2c1)C(=O)N(Cc1ccccn1)CC3
InChIInChI=1S/C25H22F3N7O2/c1-15-10-19-18(22-24(37)33(8-9-35(22)31-19)12-17-4-2-3-6-29-17)13-34(15)23(36)16-5-7-32-14-20(25(26,27)28)30-21(32)11-16/h2-7,11,14-15H,8-10,12-13H2,1H3/t15-/m1/s1
InChIKeyPXTNWUZTQUCMDR-OAHLLOKOSA-N
XLogP3.19
TPSA88.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (11R)-11-methyl-4-(pyridin-2-ylmethyl)-12-[2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonyl]-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)-11-methyl-4-(pyridin-2-ylmethyl)-12-[2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one?
The IUPAC name of (11R)-11-methyl-4-(pyridin-2-ylmethyl)-12-[2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one (CID 155366684) is (11R)-11-methyl-4-(pyridin-2-ylmethyl)-12-[2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one.
What is the SMILES notation for (11R)-11-methyl-4-(pyridin-2-ylmethyl)-12-[2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one?
The canonical SMILES for (11R)-11-methyl-4-(pyridin-2-ylmethyl)-12-[2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one is C[C@@H]1Cc2nn3c(c2CN1C(=O)c1ccn2cc(C(F)(F)F)nc2c1)C(=O)N(Cc1ccccn1)CC3.
What is the InChIKey of (11R)-11-methyl-4-(pyridin-2-ylmethyl)-12-[2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one?
The InChIKey is PXTNWUZTQUCMDR-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H22F3N7O2/c1-15-10-19-18(22-24(37)33(8-9-35(22)31-19)12-17-4-2-3-6-29-17)13-34(15)23(36)16-5-7-32-14-20(25(26,27)28)30-21(32)11-16/h2-7,11,14-15H,8-10,12-13H2,1H3/t15-/m1/s1.
What are the key properties of (11R)-11-methyl-4-(pyridin-2-ylmethyl)-12-[2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one?
(11R)-11-methyl-4-(pyridin-2-ylmethyl)-12-[2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one has a molecular weight of 509.49 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-11-methyl-4-(pyridin-2-ylmethyl)-12-[2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one is sourced from PubChem (CID 155366684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).